CID 92836

2-hydroxyhexadecanoic acid

Structural Information

Molecular Formula
C16H32O3
SMILES
CCCCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKey
JGHSBPIZNUXPLA-UHFFFAOYSA-N
Compound name
2-hydroxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

5039
Patents

272.23514 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.242416 174.3
[M+Na]+ 295.224358 176.2
[M-H]- 271.227864 169.9
[M+NH4]+ 290.268963 189.1
[M+K]+ 311.198298 173.3
[M+H-H2O]+ 255.232400 168.2
[M+HCOO]- 317.233341 190.7
[M+CH3COO]- 331.248991 198.6
[M+Na-2H]- 293.209806 172.4
[M]+ 272.23459142 177.8
[M]- 272.23568858 177.8
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