CID 58515593

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

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
CNC1=C(C(=NC=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H6ClN3O2/c1-8-4-2-3-9-6(7)5(4)10(11)12/h2-3H,1H3,(H,8,9)
InChIKey
JFHZKZCKGOZKTP-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-3-nitropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

187.01485 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.022126 133.5
[M+Na]+ 210.004068 142.3
[M-H]- 186.007574 136.2
[M+NH4]+ 205.048673 151.9
[M+K]+ 225.978008 135.5
[M+H-H2O]+ 170.012110 132.6
[M+HCOO]- 232.013051 155.3
[M+CH3COO]- 246.028701 177.0
[M+Na-2H]- 207.989516 142.6
[M]+ 187.01430142 133.6
[M]- 187.01539858 133.6
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