CID 131751839

5-hydroxy-7-eicosanone

Structural Information

Molecular Formula
C20H40O2
SMILES
CCCCCCCCCCCCCC(=O)CC(CCCC)O
InChI
InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h19,21H,3-18H2,1-2H3
InChIKey
KPKHDMCPQMHIGR-UHFFFAOYSA-N
Compound name
5-hydroxyicosan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.30283 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.31011 189.1
[M+Na]+ 335.29205 189.9
[M-H]- 311.29555 185.4
[M+NH4]+ 330.33665 203.1
[M+K]+ 351.26599 186.3
[M+H-H2O]+ 295.30009 182.2
[M+HCOO]- 357.30103 205.4
[M+CH3COO]- 371.31668 211.2
[M+Na-2H]- 333.27750 185.6
[M]+ 312.30228 194.6
[M]- 312.30338 194.6
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.