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]+ 186.03163 132.1
[M+Na]+ 208.01357 143.4
[M-H]- 184.01707 134.0
[M+NH4]+ 203.05817 151.5
[M+K]+ 223.98751 139.1
[M+H-H2O]+ 168.02161 127.5
[M+HCOO]- 230.02255 149.5
[M+CH3COO]- 244.03820 178.9
[M+Na-2H]- 205.99902 136.8
[M]+ 185.02380 134.2
[M]- 185.02490 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.