CID 5312444

17-octadecenoic acid

Structural Information

Molecular Formula
C18H34O2
SMILES
C=CCCCCCCCCCCCCCCCC(=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/h2H,1,3-17H2,(H,19,20)
InChIKey
CYSXFFUIJWHWRH-UHFFFAOYSA-N
Compound name
octadec-17-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

282.2559 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 177.6
[M+Na]+ 305.24512 179.8
[M-H]- 281.24862 174.3
[M+NH4]+ 300.28972 192.9
[M+K]+ 321.21906 175.6
[M+H-H2O]+ 265.25316 171.2
[M+HCOO]- 327.25410 195.8
[M+CH3COO]- 341.26975 203.7
[M+Na-2H]- 303.23057 176.5
[M]+ 282.25535 182.4
[M]- 282.25645 182.4
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