CID 171118845

23-methylpentacosane-2-one

Structural Information

Molecular Formula
C26H52O
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C26H52O/c1-4-25(2)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26(3)27/h25H,4-24H2,1-3H3
InChIKey
PNUIVQWZHMXTOO-UHFFFAOYSA-N
Compound name
23-methylpentacosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.40182 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.40910 212.4
[M+Na]+ 403.39104 211.2
[M-H]- 379.39454 209.0
[M+NH4]+ 398.43564 224.4
[M+K]+ 419.36498 206.4
[M+H-H2O]+ 363.39908 204.4
[M+HCOO]- 425.40002 227.9
[M+CH3COO]- 439.41567 229.7
[M+Na-2H]- 401.37649 206.2
[M]+ 380.40127 220.7
[M]- 380.40237 220.7
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.