CID 15098869

58405-00-8

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
CC1=C(C=C(C(=O)N1)Cl)C(=O)C
InChI
InChI=1S/C8H8ClNO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12)
InChIKey
QLYZDONRCQRJNB-UHFFFAOYSA-N
Compound name
5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.02435 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.031626 132.1
[M+Na]+ 208.013568 143.4
[M-H]- 184.017074 134.0
[M+NH4]+ 203.058173 151.5
[M+K]+ 223.987508 139.1
[M+H-H2O]+ 168.021610 127.5
[M+HCOO]- 230.022551 149.5
[M+CH3COO]- 244.038201 178.9
[M+Na-2H]- 205.999016 136.8
[M]+ 185.02380142 134.2
[M]- 185.02489858 134.2
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.