CID 171118855

25-methylhexacosane-2-one

Structural Information

Molecular Formula
C27H54O
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C27H54O/c1-26(2)24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27(3)28/h26H,4-25H2,1-3H3
InChIKey
YYBPJZMEEKQBBZ-UHFFFAOYSA-N
Compound name
25-methylhexacosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.41748 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.42476 216.8
[M+Na]+ 417.40670 215.1
[M-H]- 393.41020 213.2
[M+NH4]+ 412.45130 228.2
[M+K]+ 433.38064 210.1
[M+H-H2O]+ 377.41474 208.6
[M+HCOO]- 439.41568 232.0
[M+CH3COO]- 453.43133 232.6
[M+Na-2H]- 415.39215 210.0
[M]+ 394.41693 225.5
[M]- 394.41803 225.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.