CID 101243096

9-hydroxy-cis-11-octadecenoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2508 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.25808 181.8
[M+Na]+ 321.24002 183.3
[M-H]- 297.24352 177.1
[M+NH4]+ 316.28462 195.6
[M+K]+ 337.21396 179.3
[M+H-H2O]+ 281.24806 175.4
[M+HCOO]- 343.24900 197.7
[M+CH3COO]- 357.26465 203.1
[M+Na-2H]- 319.22547 178.9
[M]+ 298.25025 185.3
[M]- 298.25135 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

No patent data available for this compound.