ACCESSION: MSBNK-EPA-ENTACT_AGILENT000661
RECORD_TITLE: 2-Ethylhexyl cyanoacetate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Ethylhexyl cyanoacetate
CH$NAME: DTXSID9044378
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₉NO₂
CH$EXACT_MASS: 197.1415788581
CH$SMILES: CCCCC(COC(=O)CC#N)CC
CH$IUPAC: InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3
CH$LINK: CAS 13361-34-7
CH$LINK: INCHIKEY ZNYBQVBNSXLZNI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:96359

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 196.1343024064
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-9000000000-34ab9490feda097ee30a
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  38.003623 5.997173 59
  65.998537 100.000003 999
  81.070974 1.24362 12
//