CID 86290130

Omega-hydroxy-15-methylpalmitate

Structural Information

Molecular Formula
C17H34O3
SMILES
CC(CCCCCCCCCCCCCC(=O)O)CO
InChI
InChI=1S/C17H34O3/c1-16(15-18)13-11-9-7-5-3-2-4-6-8-10-12-14-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)
InChIKey
ADEHZUFYJHOPKU-UHFFFAOYSA-N
Compound name
16-hydroxy-15-methylhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

286.2508 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25808 176.1
[M+Na]+ 309.24002 182.3
[M+NH4]+ 304.28462 180.7
[M+K]+ 325.21396 176.4
[M-H]- 285.24352 173.0
[M+Na-2H]- 307.22547 174.9
[M]+ 286.25025 175.6
[M]- 286.25135 175.6
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