CID 87509362

Anteiso-9c,12c-nonadecadienoic acid

Structural Information

Molecular Formula
C19H34O2
SMILES
CCC(C)CC/C=C\C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C19H34O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4,6,10,12,18H,3,5,7-9,11,13-17H2,1-2H3,(H,20,21)/b6-4-,12-10-
InChIKey
DHIGOOLAUAATJD-OHPMOLHNSA-N
Compound name
(9Z,12Z)-16-methyloctadeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.2559 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.26318 181.5
[M+Na]+ 317.24512 183.5
[M-H]- 293.24862 178.2
[M+NH4]+ 312.28972 196.3
[M+K]+ 333.21906 179.0
[M+H-H2O]+ 277.25316 175.1
[M+HCOO]- 339.25410 198.6
[M+CH3COO]- 353.26975 205.2
[M+Na-2H]- 315.23057 178.7
[M]+ 294.25535 185.1
[M]- 294.25645 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe