CID 10466

16-hydroxyhexadecanoic acid

Structural Information

Molecular Formula
C16H32O3
SMILES
C(CCCCCCCC(=O)O)CCCCCCCO
InChI
InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
InChIKey
UGAGPNKCDRTDHP-UHFFFAOYSA-N
Compound name
16-hydroxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

44
References

5978
Patents

272.23514 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.242416 173.5
[M+Na]+ 295.224358 175.7
[M-H]- 271.227864 169.0
[M+NH4]+ 290.268963 188.4
[M+K]+ 311.198298 172.3
[M+H-H2O]+ 255.232400 167.3
[M+HCOO]- 317.233341 190.9
[M+CH3COO]- 331.248991 197.8
[M+Na-2H]- 293.209806 172.9
[M]+ 272.23459142 177.7
[M]- 272.23568858 177.7
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