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]+ 132.021076 121.7
[M+Na]+ 154.003018 130.3
[M-H]- 130.006524 122.5
[M+NH4]+ 149.047623 142.6
[M+K]+ 169.976958 126.9
[M+H-H2O]+ 114.011060 117.1
[M+HCOO]- 176.012001 137.7
[M+CH3COO]- 190.027651 166.0
[M+Na-2H]- 151.988466 128.5
[M]+ 131.01325142 118.9
[M]- 131.01434858 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

literature stripe

Patent stripe

patents stripe