CID 5312772

17-hydroxyoleic acid

Structural Information

Molecular Formula
C18H34O3
SMILES
CC(CCCCCC/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H34O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,17,19H,4-16H2,1H3,(H,20,21)/b3-2-
InChIKey
UMIZOHMCQYCZRX-IHWYPQMZSA-N
Compound name
(Z)-17-hydroxyoctadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

88
Patents

298.2508 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.25808 179.8
[M+Na]+ 321.24002 185.8
[M+NH4]+ 316.28462 184.0
[M+K]+ 337.21396 179.7
[M-H]- 297.24352 176.4
[M+Na-2H]- 319.22547 178.2
[M]+ 298.25025 179.2
[M]- 298.25135 179.2
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