CID 9561450

24186-59-2

Structural Information

Molecular Formula

C₅H₅N₃O₃

SMILES

C1=C(OC(=C1)[N+](=O)[O-])/C=N/N

InChI

InChI=1S/C5H5N3O3/c6-7-3-4-1-2-5(11-4)8(9)10/h1-3H,6H2/b7-3+

InChIKey

RAWYBMUWBNFLAS-XVNBXDOJSA-N

Compound name

(E)-(5-nitrofuran-2-yl)methylidenehydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 155.0331 Da
Monoisotopic Mass: 0.0
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]+	156.04038	126.5
[M+Na]+	178.02232	134.0
[M-H]-	154.02582	132.2
[M+NH4]+	173.06692	146.9
[M+K]+	193.99626	130.6
[M+H-H2O]+	138.03036	125.0
[M+HCOO]-	200.03130	156.5
[M+CH3COO]-	214.04695	173.6
[M+Na-2H]-	176.00777	136.1
[M]+	155.03255	125.2
[M]-	155.03365	125.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.