CID 9815243

6-nitropyridine-2,5-diamine

Structural Information

Molecular Formula
C5H6N4O2
SMILES
C1=CC(=NC(=C1N)[N+](=O)[O-])N
InChI
InChI=1S/C5H6N4O2/c6-3-1-2-4(7)8-5(3)9(10)11/h1-2H,6H2,(H2,7,8)
InChIKey
DRSOPPBVZYEMNZ-UHFFFAOYSA-N
Compound name
6-nitropyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1439
Patents

154.04907 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05635 125.4
[M+Na]+ 177.03829 137.1
[M+NH4]+ 172.08289 132.9
[M+K]+ 193.01223 135.5
[M-H]- 153.04179 128.7
[M+Na-2H]- 175.02374 131.6
[M]+ 154.04852 127.6
[M]- 154.04962 127.6
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