CID 3480151

3537-14-2

Structural Information

Molecular Formula

C₅H₆N₄O₂

SMILES

C1=C(C=NC(=C1N)N)[N+](=O)[O-]

InChI

InChI=1S/C5H6N4O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,6H2,(H2,7,8)

InChIKey

JOQJNCSAEMIZOU-UHFFFAOYSA-N

Compound name

5-nitropyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 154.04907 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe