CID 11076852

63408-45-7

Structural Information

Molecular Formula

C₁₉H₃₆O

SMILES

CCCCCCCCC(=O)CC/C=C\CCCCCC

InChI

InChI=1S/C19H36O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h12,14H,3-11,13,15-18H2,1-2H3/b14-12-

InChIKey

LLUGFFSGUQULMF-OWBHPGMISA-N

Compound name

(Z)-nonadec-12-en-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 280.2766 Da
Monoisotopic Mass: 7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	281.28388	178.8
[M+Na]+	303.26582	181.1
[M-H]-	279.26932	176.9
[M+NH4]+	298.31042	195.0
[M+K]+	319.23976	177.2
[M+H-H2O]+	263.27386	172.2
[M+HCOO]-	325.27480	198.0
[M+CH3COO]-	339.29045	206.8
[M+Na-2H]-	301.25127	177.7
[M]+	280.27605	184.4
[M]-	280.27715	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe