CID 53974829

Octadeca-2,9-dienoic acid

Structural Information

Molecular Formula
C18H32O2
SMILES
CCCCCCCCC=CCCCCCC=CC(=O)O
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,16-17H,2-8,11-15H2,1H3,(H,19,20)
InChIKey
JUDVSKZBHCGCJO-UHFFFAOYSA-N
Compound name
octadeca-2,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

280.24023 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.24751 175.8
[M+Na]+ 303.22945 183.3
[M+NH4]+ 298.27405 180.8
[M+K]+ 319.20339 175.3
[M-H]- 279.23295 173.5
[M+Na-2H]- 301.21490 175.6
[M]+ 280.23968 175.8
[M]- 280.24078 175.8
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