CID 3496888

Methyl 16-hydroxyhexadecanoate

Structural Information

Molecular Formula
C17H34O3
SMILES
COC(=O)CCCCCCCCCCCCCCCO
InChI
InChI=1S/C17H34O3/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h18H,2-16H2,1H3
InChIKey
AOTMRIXFFOGWDT-UHFFFAOYSA-N
Compound name
methyl 16-hydroxyhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

286.2508 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25808 177.9
[M+Na]+ 309.24002 180.2
[M-H]- 285.24352 174.7
[M+NH4]+ 304.28462 193.1
[M+K]+ 325.21396 177.4
[M+H-H2O]+ 269.24806 171.3
[M+HCOO]- 331.24900 196.5
[M+CH3COO]- 345.26465 202.7
[M+Na-2H]- 307.22547 177.3
[M]+ 286.25025 184.4
[M]- 286.25135 184.4
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

No patent data available for this compound.