CID 171118846

23-methyltetracosane-2-one

Structural Information

Molecular Formula
C25H50O
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C25H50O/c1-24(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25(3)26/h24H,4-23H2,1-3H3
InChIKey
ILASDVJFBAKEGM-UHFFFAOYSA-N
Compound name
23-methyltetracosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.38617 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.39345 208.0
[M+Na]+ 389.37539 207.2
[M-H]- 365.37889 204.8
[M+NH4]+ 384.41999 220.6
[M+K]+ 405.34933 202.7
[M+H-H2O]+ 349.38343 200.2
[M+HCOO]- 411.38437 223.9
[M+CH3COO]- 425.40002 226.8
[M+Na-2H]- 387.36084 202.3
[M]+ 366.38562 215.9
[M]- 366.38672 215.9
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.