CID 131751815

4-hydroxy-6-heptacosanone

Structural Information

Molecular Formula
C27H54O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)CC(CCC)O
InChI
InChI=1S/C27H54O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)25-26(28)23-4-2/h26,28H,3-25H2,1-2H3
InChIKey
QKRAILWBHKPTOP-UHFFFAOYSA-N
Compound name
4-hydroxyheptacosan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.41238 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.41966 219.8
[M+Na]+ 433.40160 217.7
[M-H]- 409.40510 214.7
[M+NH4]+ 428.44620 218.4
[M+K]+ 449.37554 212.3
[M+H-H2O]+ 393.40964 211.7
[M+HCOO]- 455.41058 226.9
[M+CH3COO]- 469.42623 231.7
[M+Na-2H]- 431.38705 212.7
[M]+ 410.41183 228.0
[M]- 410.41293 228.0
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.