CID 9815243

69825-83-8

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

3
Annotation Hits: 0
References: 2117
Patents: 154.04907 Da
Monoisotopic Mass: 0.5
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]+	155.056346	124.7
[M+Na]+	177.038288	132.8
[M-H]-	153.041794	127.0
[M+NH4]+	172.082893	142.8
[M+K]+	193.012228	127.0
[M+H-H2O]+	137.046330	122.8
[M+HCOO]-	199.047271	151.3
[M+CH3COO]-	213.062921	173.5
[M+Na-2H]-	175.023736	133.5
[M]+	154.04852142	119.8
[M]-	154.04961858	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe