CID 5282909

5-hydroxyoctadecanoic acid

Structural Information

Molecular Formula
C18H36O3
SMILES
CCCCCCCCCCCCCC(CCCC(=O)O)O
InChI
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKey
YTITYUDOZJUZBE-UHFFFAOYSA-N
Compound name
5-hydroxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

117
Patents

300.26645 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.27373 183.2
[M+Na]+ 323.25567 184.3
[M-H]- 299.25917 178.5
[M+NH4]+ 318.30027 196.9
[M+K]+ 339.22961 180.9
[M+H-H2O]+ 283.26371 176.7
[M+HCOO]- 345.26465 198.9
[M+CH3COO]- 359.28030 204.6
[M+Na-2H]- 321.24112 180.3
[M]+ 300.26590 187.5
[M]- 300.26700 187.5
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