CID 12508378

2-chloro-4,6-dimethylpyridine

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC1=CC(=NC(=C1)Cl)C
InChI
InChI=1S/C7H8ClN/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
InChIKey
COVGXNSRDOYAJD-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

141.03453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.041806 123.5
[M+Na]+ 164.023748 134.5
[M-H]- 140.027254 126.4
[M+NH4]+ 159.068353 145.4
[M+K]+ 179.997688 131.2
[M+H-H2O]+ 124.031790 118.7
[M+HCOO]- 186.032731 142.8
[M+CH3COO]- 200.048381 174.1
[M+Na-2H]- 162.009196 131.2
[M]+ 141.03398142 125.8
[M]- 141.03507858 125.8
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