CID 146155409

2204085-69-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.00871 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.01599 125.4
[M+Na]+ 181.99793 137.0
[M-H]- 158.00143 126.1
[M+NH4]+ 177.04253 145.2
[M+K]+ 197.97187 132.5
[M+H-H2O]+ 142.00597 121.3
[M+HCOO]- 204.00691 142.7
[M+CH3COO]- 218.02256 170.3
[M+Na-2H]- 179.98338 131.7
[M]+ 159.00816 126.2
[M]- 159.00926 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

No patent data available for this compound.