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

36
Patents

187.01485 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02213 133.5
[M+Na]+ 210.00407 142.3
[M-H]- 186.00757 136.2
[M+NH4]+ 205.04867 151.9
[M+K]+ 225.97801 135.5
[M+H-H2O]+ 170.01211 132.6
[M+HCOO]- 232.01305 155.3
[M+CH3COO]- 246.02870 177.0
[M+Na-2H]- 207.98952 142.6
[M]+ 187.01430 133.6
[M]- 187.01540 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