CID 85780367

2-tetracosanone

Structural Information

Molecular Formula
C24H48O
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C24H48O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)25/h3-23H2,1-2H3
InChIKey
YLXYBDHLRCMBAL-UHFFFAOYSA-N
Compound name
tetracosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

352.3705 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.37778 202.6
[M+Na]+ 375.35972 202.5
[M-H]- 351.36322 199.6
[M+NH4]+ 370.40432 215.9
[M+K]+ 391.33366 197.8
[M+H-H2O]+ 335.36776 194.9
[M+HCOO]- 397.36870 219.9
[M+CH3COO]- 411.38435 223.1
[M+Na-2H]- 373.34517 198.8
[M]+ 352.36995 210.9
[M]- 352.37105 210.9
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

patents stripe