CID 22240495

3-chloro-5,6-dihydropyridin-2(1h)-one

Structural Information

Molecular Formula
C5H6ClNO
SMILES
C1CNC(=O)C(=C1)Cl
InChI
InChI=1S/C5H6ClNO/c6-4-2-1-3-7-5(4)8/h2H,1,3H2,(H,7,8)
InChIKey
MDCPVYOIYISUFL-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1H-pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

131.0138 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 121.7
[M+Na]+ 154.00302 130.3
[M-H]- 130.00652 122.5
[M+NH4]+ 149.04762 142.6
[M+K]+ 169.97696 126.9
[M+H-H2O]+ 114.01106 117.1
[M+HCOO]- 176.01200 137.7
[M+CH3COO]- 190.02765 166.0
[M+Na-2H]- 151.98847 128.5
[M]+ 131.01325 118.9
[M]- 131.01435 118.9
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.