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]+ 313.310106 189.1
[M+Na]+ 335.292048 189.9
[M-H]- 311.295554 185.4
[M+NH4]+ 330.336653 203.1
[M+K]+ 351.265988 186.3
[M+H-H2O]+ 295.300090 182.2
[M+HCOO]- 357.301031 205.4
[M+CH3COO]- 371.316681 211.2
[M+Na-2H]- 333.277496 185.6
[M]+ 312.30228142 194.6
[M]- 312.30337858 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.