CID 46739797

5-chloro-4-methylpyridin-2-ol

Structural Information

Molecular Formula
C6H6ClNO
SMILES
CC1=CC(=O)NC=C1Cl
InChI
InChI=1S/C6H6ClNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9)
InChIKey
BSUJQJXODPSJTC-UHFFFAOYSA-N
Compound name
5-chloro-4-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

143.0138 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 122.1
[M+Na]+ 166.00302 133.3
[M-H]- 142.00652 123.7
[M+NH4]+ 161.04762 143.0
[M+K]+ 181.97696 129.1
[M+H-H2O]+ 126.01106 117.6
[M+HCOO]- 188.01200 140.6
[M+CH3COO]- 202.02765 169.6
[M+Na-2H]- 163.98847 129.7
[M]+ 143.01325 122.9
[M]- 143.01435 122.9
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

patents stripe