CID 11469515

2-chloro-6-methyl-3-nitropyridin-4-amine

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
CC1=CC(=C(C(=N1)Cl)[N+](=O)[O-])N
InChI
InChI=1S/C6H6ClN3O2/c1-3-2-4(8)5(10(11)12)6(7)9-3/h2H,1H3,(H2,8,9)
InChIKey
UZQYVROLXILHKH-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-3-nitropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

187.01485 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.022126 133.8
[M+Na]+ 210.004068 143.6
[M-H]- 186.007574 136.4
[M+NH4]+ 205.048673 152.2
[M+K]+ 225.978008 136.4
[M+H-H2O]+ 170.012110 133.3
[M+HCOO]- 232.013051 155.0
[M+CH3COO]- 246.028701 177.4
[M+Na-2H]- 207.989516 141.2
[M]+ 187.01430142 133.3
[M]- 187.01539858 133.3
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