CID 46186046

10-hoe

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCC/C=C\CC(CCCCCCCCC(=O)O)O
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
InChIKey
WVYIZGMCLSGZGG-FLIBITNWSA-N
Compound name
(Z)-10-hydroxyoctadec-12-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

120
Patents

298.2508 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.258076 181.8
[M+Na]+ 321.240018 183.3
[M-H]- 297.243524 177.1
[M+NH4]+ 316.284623 195.6
[M+K]+ 337.213958 179.3
[M+H-H2O]+ 281.248060 175.4
[M+HCOO]- 343.249001 197.7
[M+CH3COO]- 357.264651 203.1
[M+Na-2H]- 319.225466 178.9
[M]+ 298.25025142 185.3
[M]- 298.25134858 185.3
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