CID 5282913

15-hydroxy stearic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1656
Patents

300.26645 Da
Monoisotopic Mass

6.3
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

No literature data available for this compound.

Patent stripe

patents stripe