ACCESSION: MSBNK-EPA-ENTACT_AGILENT000638
RECORD_TITLE: 1-Cyclohexylpyrrolidin-2-one; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Cyclohexylpyrrolidin-2-one
CH$NAME: DTXSID7044716
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇NO
CH$EXACT_MASS: 167.131014172
CH$SMILES: O=C1CCCN1C1CCCCC1
CH$IUPAC: InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2
CH$LINK: CAS 6837-24-7
CH$LINK: INCHIKEY PZYDAVFRVJXFHS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:81278

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 168.1382906237
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-9000000000-f696e44190fcc803404e
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41.038577 1.550855 15
  44.01309 1.532769 15
  55.054227 24.351338 243
  69.033491 2.121396 21
  83.085527 15.680235 156
  86.06004 99.999998 999
  86.096426 3.479644 34
  86.109002 2.04087 20
  168.138291 16.169039 161
//