CID 5481177

58481-05-3

Structural Information

Molecular Formula

C₆H₆N₄O₃

SMILES

C1=CN=C(C=C1C(=O)NN)[N+](=O)[O-]

InChI

InChI=1S/C6H6N4O3/c7-9-6(11)4-1-2-8-5(3-4)10(12)13/h1-3H,7H2,(H,9,11)

InChIKey

AEVNJSOYFOFWDU-UHFFFAOYSA-N

Compound name

2-nitropyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 182.04399 Da
Monoisotopic Mass: -0.8
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]+	183.05127	131.1
[M+Na]+	205.03321	137.7
[M-H]-	181.03671	133.5
[M+NH4]+	200.07781	147.8
[M+K]+	221.00715	132.5
[M+H-H2O]+	165.04125	128.6
[M+HCOO]-	227.04219	157.4
[M+CH3COO]-	241.05784	177.3
[M+Na-2H]-	203.01866	140.1
[M]+	182.04344	127.0
[M]-	182.04454	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.