CID 119098684

34040-81-8

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
CC1=C(C(=O)NC=C1Cl)N
InChI
InChI=1S/C6H7ClN2O/c1-3-4(7)2-9-6(10)5(3)8/h2H,8H2,1H3,(H,9,10)
InChIKey
WNDWSFOCSMZNKU-UHFFFAOYSA-N
Compound name
3-amino-5-chloro-4-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.02469 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 127.8
[M+Na]+ 181.01391 139.1
[M-H]- 157.01741 129.3
[M+NH4]+ 176.05851 147.8
[M+K]+ 196.98785 134.4
[M+H-H2O]+ 141.02195 123.2
[M+HCOO]- 203.02289 146.8
[M+CH3COO]- 217.03854 175.0
[M+Na-2H]- 178.99936 133.7
[M]+ 158.02414 127.3
[M]- 158.02524 127.3
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.