CID 5282757

Cis-8-octadecenoic acid

Structural Information

Molecular Formula
C18H34O2
SMILES
CCCCCCCCC/C=C\CCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H,19,20)/b11-10-
InChIKey
WRIDQFICGBMAFQ-KHPPLWFESA-N
Compound name
(Z)-octadec-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

108
Patents

282.2559 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 176.5
[M+Na]+ 305.24512 183.9
[M+NH4]+ 300.28972 181.7
[M+K]+ 321.21906 176.0
[M-H]- 281.24862 174.3
[M+Na-2H]- 303.23057 176.3
[M]+ 282.25535 176.5
[M]- 282.25645 176.5
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