CID 5312849

10-hydroxy-8-octadecenoic acid

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCCCCCC(/C=C/CCCCCCC(=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/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
InChIKey
RXBFKZNLXJKTLQ-NTCAYCPXSA-N
Compound name
(E)-10-hydroxyoctadec-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

298.2508 Da
Monoisotopic Mass

5.8
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

patents stripe