CID 12852015

6-chloro-5-methylpyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

157
Patents

143.0138 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 123.2
[M+Na]+ 166.00302 138.2
[M+NH4]+ 161.04762 132.5
[M+K]+ 181.97696 131.4
[M-H]- 142.00652 125.0
[M+Na-2H]- 163.98847 131.1
[M]+ 143.01325 126.2
[M]- 143.01435 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

literature stripe

Patent stripe

patents stripe