CID 16061043

9-hydroxy-16-oxo-hexadecanoic acid

Structural Information

Molecular Formula
C16H30O4
SMILES
C(CCCC(CCCCCCC=O)O)CCCC(=O)O
InChI
InChI=1S/C16H30O4/c17-14-10-6-2-4-8-12-15(18)11-7-3-1-5-9-13-16(19)20/h14-15,18H,1-13H2,(H,19,20)
InChIKey
ZEOCBNZYNJLVHK-UHFFFAOYSA-N
Compound name
9-hydroxy-16-oxohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.21442 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.22170 175.1
[M+Na]+ 309.20364 177.3
[M-H]- 285.20714 170.7
[M+NH4]+ 304.24824 189.2
[M+K]+ 325.17758 174.3
[M+H-H2O]+ 269.21168 168.8
[M+HCOO]- 331.21262 191.9
[M+CH3COO]- 345.22827 199.8
[M+Na-2H]- 307.18909 173.4
[M]+ 286.21387 179.5
[M]- 286.21497 179.5
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

No patent data available for this compound.