CID 3713598

5469-78-3

Structural Information

Molecular Formula

C₅H₅N₃O₄

SMILES

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

InChI

InChI=1S/C5H5N3O4/c6-7-5(9)3-1-2-4(12-3)8(10)11/h1-2H,6H2,(H,7,9)

InChIKey

HRYYAHKXNSUDFH-UHFFFAOYSA-N

Compound name

5-nitrofuran-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 26
Patents: 171.028 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]+	172.03528	129.5
[M+Na]+	194.01722	136.1
[M-H]-	170.02072	133.8
[M+NH4]+	189.06182	148.2
[M+K]+	209.99116	132.7
[M+H-H2O]+	154.02526	127.9
[M+HCOO]-	216.02620	157.1
[M+CH3COO]-	230.04185	173.8
[M+Na-2H]-	192.00267	137.6
[M]+	171.02745	127.0
[M]-	171.02855	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe