CID 71758064

2-chloro-5-methylpyridin-4-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

143.0138 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 122.9
[M+Na]+ 166.00302 137.9
[M+NH4]+ 161.04762 131.9
[M+K]+ 181.97696 131.0
[M-H]- 142.00652 124.4
[M+Na-2H]- 163.98847 130.6
[M]+ 143.01325 125.7
[M]- 143.01435 125.7
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