CID 131751814

6-hydroxy-8-heptacosanone

Structural Information

Molecular Formula
C27H54O2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)CC(CCCCC)O
InChI
InChI=1S/C27H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h26,28H,3-25H2,1-2H3
InChIKey
YFSISXAKEZHDMI-UHFFFAOYSA-N
Compound name
6-hydroxyheptacosan-8-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]+ 411.419656 219.8
[M+Na]+ 433.401598 217.7
[M-H]- 409.405104 214.7
[M+NH4]+ 428.446203 218.4
[M+K]+ 449.375538 212.3
[M+H-H2O]+ 393.409640 211.7
[M+HCOO]- 455.410581 226.9
[M+CH3COO]- 469.426231 231.7
[M+Na-2H]- 431.387046 212.7
[M]+ 410.41183142 228.0
[M]- 410.41292858 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.