CID 122425

29602-39-9

Structural Information

Molecular Formula

C₇H₁₀N₄O₂

SMILES

C1=CC(=NC=C1[N+](=O)[O-])NCCN

InChI

InChI=1S/C7H10N4O2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13/h1-2,5H,3-4,8H2,(H,9,10)

InChIKey

ODHSPTHLPCXPTL-UHFFFAOYSA-N

Compound name

N'-(5-nitropyridin-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 433
Patents: 182.08037 Da
Monoisotopic Mass: 0.1
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]+	183.08765	134.4
[M+Na]+	205.06959	145.6
[M+NH4]+	200.11419	141.6
[M+K]+	221.04353	143.0
[M-H]-	181.07309	137.7
[M+Na-2H]-	203.05504	140.7
[M]+	182.07982	136.5
[M]-	182.08092	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe