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 178.8
[M+Na]+ 309.24002 180.3
[M-H]- 285.24352 174.2
[M+NH4]+ 304.28462 193.0
[M+K]+ 325.21396 177.1
[M+H-H2O]+ 269.24806 172.4
[M+HCOO]- 331.24900 194.8
[M+CH3COO]- 345.26465 201.6
[M+Na-2H]- 307.22547 176.3
[M]+ 286.25025 182.7
[M]- 286.25135 182.7
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