CID 4308451

17-hydroxy-heptadecanoic 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

406
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.