CID 54695998

6-chloro-4-hydroxy-5-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C6H6ClNO2
SMILES
CC1=C(NC(=O)C=C1O)Cl
InChI
InChI=1S/C6H6ClNO2/c1-3-4(9)2-5(10)8-6(3)7/h2H,1H3,(H2,8,9,10)
InChIKey
QUBIGHOVXYVMCY-UHFFFAOYSA-N
Compound name
6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

159.00871 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.015986 125.4
[M+Na]+ 181.997928 137.0
[M-H]- 158.001434 126.1
[M+NH4]+ 177.042533 145.2
[M+K]+ 197.971868 132.5
[M+H-H2O]+ 142.005970 121.3
[M+HCOO]- 204.006911 142.7
[M+CH3COO]- 218.022561 170.3
[M+Na-2H]- 179.983376 131.7
[M]+ 159.00816142 126.2
[M]- 159.00925858 126.2
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

patents stripe