CID 7060665

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

156.04543 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe