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
3
Annotation Hits

24
References

35817
Patents

300.26645 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.273726 182.4
[M+Na]+ 323.255668 183.7
[M-H]- 299.259174 177.5
[M+NH4]+ 318.300273 196.1
[M+K]+ 339.229608 179.8
[M+H-H2O]+ 283.263710 175.7
[M+HCOO]- 345.264651 199.0
[M+CH3COO]- 359.280301 203.8
[M+Na-2H]- 321.241116 180.7
[M]+ 300.26590142 187.3
[M]- 300.26699858 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