CID 85837000

10-oxo-16-hydroxyhexadecanoic acid

Structural Information

Molecular Formula
C16H30O4
SMILES
C(CCCCC(=O)O)CCCC(=O)CCCCCCO
InChI
InChI=1S/C16H30O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h17H,1-14H2,(H,19,20)
InChIKey
ZNMHENLYDLACAS-UHFFFAOYSA-N
Compound name
16-hydroxy-10-oxohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

286.21442 Da
Monoisotopic Mass

3.1
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

patents stripe