CID 168499381

Orbonaic acid

Structural Information

Molecular Formula
C19H34O2
SMILES
CCCCCCCCCC/C=C\C/C=C\CCCC(=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/h11-12,14-15H,2-10,13,16-18H2,1H3,(H,20,21)/b12-11-,15-14-
InChIKey
YLTQJSFIWUSPLP-HDXUUTQWSA-N
Compound name
(5Z,8Z)-nonadeca-5,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2559 Da
Monoisotopic Mass

7.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.