CID 13932174

Norlinoleic acid

Structural Information

Molecular Formula

C₁₇H₃₀O₂

SMILES

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

InChI

InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h6-7,9-10H,2-5,8,11-16H2,1H3,(H,18,19)/b7-6-,10-9-

InChIKey

ZYJWXPONROMNOE-HZJYTTRNSA-N

Compound name

(8Z,11Z)-heptadeca-8,11-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 41
Patents: 266.22458 Da
Monoisotopic Mass: 6.3
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]+	267.23186	171.9
[M+Na]+	289.21380	175.0
[M-H]-	265.21730	168.9
[M+NH4]+	284.25840	187.9
[M+K]+	305.18774	170.5
[M+H-H2O]+	249.22184	165.8
[M+HCOO]-	311.22278	190.7
[M+CH3COO]-	325.23843	198.5
[M+Na-2H]-	287.19925	171.4
[M]+	266.22403	175.5
[M]-	266.22513	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe