CID 5282906

2-hydroxyheptadecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

494
Patents

286.2508 Da
Monoisotopic Mass

6.9
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

literature stripe

Patent stripe

patents stripe