CID 1713084

Cis-9-oxo-2-decenoic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CC(=O)CCCCC/C=C\C(=O)O

InChI

InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6-

InChIKey

INJRDZMWIAYEMM-VURMDHGXSA-N

Compound name

(Z)-9-oxodec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 125
Patents: 184.10994 Da
Monoisotopic Mass: 1.6
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]+	185.117216	143.1
[M+Na]+	207.099158	148.7
[M-H]-	183.102664	141.5
[M+NH4]+	202.143763	162.2
[M+K]+	223.073098	147.0
[M+H-H2O]+	167.107200	138.2
[M+HCOO]-	229.108141	163.4
[M+CH3COO]-	243.123791	180.8
[M+Na-2H]-	205.084606	145.1
[M]+	184.10939142	144.9
[M]-	184.11048858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe