CID 10511120

2-chloro-4,6-dimethylpyridin-3-amine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=CC(=NC(=C1N)Cl)C
InChI
InChI=1S/C7H9ClN2/c1-4-3-5(2)10-7(8)6(4)9/h3H,9H2,1-2H3
InChIKey
PDPCDUNCJYNCDR-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dimethylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

156.04543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 129.5
[M+Na]+ 179.034648 140.6
[M-H]- 155.038154 132.2
[M+NH4]+ 174.079253 150.4
[M+K]+ 195.008588 136.7
[M+H-H2O]+ 139.042690 124.6
[M+HCOO]- 201.043631 149.2
[M+CH3COO]- 215.059281 179.3
[M+Na-2H]- 177.020096 135.4
[M]+ 156.04488142 130.5
[M]- 156.04597858 130.5
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