CID 5282915

18-hydroxyoctadecanoic acid

Structural Information

Molecular Formula
C18H36O3
SMILES
C(CCCCCCCCC(=O)O)CCCCCCCCO
InChI
InChI=1S/C18H36O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h19H,1-17H2,(H,20,21)
InChIKey
VLHZUYUOEGBBJB-UHFFFAOYSA-N
Compound name
18-hydroxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

31148
Patents

300.26645 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.27373 182.4
[M+Na]+ 323.25567 183.7
[M-H]- 299.25917 177.5
[M+NH4]+ 318.30027 196.1
[M+K]+ 339.22961 179.8
[M+H-H2O]+ 283.26371 175.7
[M+HCOO]- 345.26465 199.0
[M+CH3COO]- 359.28030 203.8
[M+Na-2H]- 321.24112 180.7
[M]+ 300.26590 187.3
[M]- 300.26700 187.3
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