CID 12137791

Schembl3399476

Structural Information

Molecular Formula
C19H34O2
SMILES
CCCCCC/C=C\C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h7-8,10-11H,2-6,9,12-18H2,1H3,(H,20,21)/b8-7-,11-10-
InChIKey
BFXHARLBAGKNRH-NQLNTKRDSA-N
Compound name
(9Z,12Z)-nonadeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

294.2559 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.26318 180.8
[M+Na]+ 317.24512 183.0
[M-H]- 293.24862 177.5
[M+NH4]+ 312.28972 195.7
[M+K]+ 333.21906 178.1
[M+H-H2O]+ 277.25316 174.3
[M+HCOO]- 339.25410 199.0
[M+CH3COO]- 353.26975 204.5
[M+Na-2H]- 315.23057 179.3
[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

literature stripe

Patent stripe

patents stripe