CID 131751821

6-hydroxy-4-pentacosanone

Structural Information

Molecular Formula
C25H50O2
SMILES
CCCCCCCCCCCCCCCCCCCC(CC(=O)CCC)O
InChI
InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)23-24(26)21-4-2/h25,27H,3-23H2,1-2H3
InChIKey
IYLKIYDSYKTDKK-UHFFFAOYSA-N
Compound name
6-hydroxypentacosan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.38107 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.388346 211.2
[M+Na]+ 405.370288 209.8
[M-H]- 381.373794 206.5
[M+NH4]+ 400.414893 222.3
[M+K]+ 421.344228 205.0
[M+H-H2O]+ 365.378330 203.4
[M+HCOO]- 427.379271 225.8
[M+CH3COO]- 441.394921 225.9
[M+Na-2H]- 403.355736 205.0
[M]+ 382.38052142 218.6
[M]- 382.38161858 218.6
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.