CID 701012

3-amino-2,6-dichloro-4-methylpyridine

Structural Information

Molecular Formula
C6H6Cl2N2
SMILES
CC1=CC(=NC(=C1N)Cl)Cl
InChI
InChI=1S/C6H6Cl2N2/c1-3-2-4(7)10-6(8)5(3)9/h2H,9H2,1H3
InChIKey
AULKGEJDEAKINM-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-methylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

175.9908 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99808 131.1
[M+Na]+ 198.98002 142.7
[M-H]- 174.98352 133.0
[M+NH4]+ 194.02462 151.4
[M+K]+ 214.95396 137.7
[M+H-H2O]+ 158.98806 126.9
[M+HCOO]- 220.98900 145.9
[M+CH3COO]- 235.00465 181.1
[M+Na-2H]- 196.96547 136.7
[M]+ 175.99025 132.5
[M]- 175.99135 132.5
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