CID 171118842

21-methyltricosan-2-one

Structural Information

Molecular Formula
C24H48O
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C24H48O/c1-4-23(2)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(3)25/h23H,4-22H2,1-3H3
InChIKey
KHHKTQRWCWAHQM-UHFFFAOYSA-N
Compound name
21-methyltricosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.3705 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.37778 203.5
[M+Na]+ 375.35972 203.2
[M-H]- 351.36322 200.5
[M+NH4]+ 370.40432 216.7
[M+K]+ 391.33366 198.9
[M+H-H2O]+ 335.36776 195.9
[M+HCOO]- 397.36870 219.8
[M+CH3COO]- 411.38435 223.8
[M+Na-2H]- 373.34517 198.4
[M]+ 352.36995 211.1
[M]- 352.37105 211.1
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.