CID 4308451

17-hydroxyheptadecanoic acid

Structural Information

Molecular Formula
C17H34O3
SMILES
C(CCCCCCCCO)CCCCCCCC(=O)O
InChI
InChI=1S/C17H34O3/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h18H,1-16H2,(H,19,20)
InChIKey
JHRQMZPLCYCFPI-UHFFFAOYSA-N
Compound name
17-hydroxyheptadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

419
Patents

286.2508 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25808 178.0
[M+Na]+ 309.24002 179.7
[M-H]- 285.24352 173.3
[M+NH4]+ 304.28462 192.3
[M+K]+ 325.21396 176.0
[M+H-H2O]+ 269.24806 171.5
[M+HCOO]- 331.24900 195.0
[M+CH3COO]- 345.26465 200.8
[M+Na-2H]- 307.22547 176.8
[M]+ 286.25025 182.5
[M]- 286.25135 182.5
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