CID 13211642

(5-nitrofuran-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

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

InChI

InChI=1S/C5H6N2O3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3,6H2

InChIKey

IQVPHXCRBFPVQJ-UHFFFAOYSA-N

Compound name

(5-nitrofuran-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 142.03784 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]+	143.04512	124.3
[M+Na]+	165.02706	135.3
[M+NH4]+	160.07166	132.3
[M+K]+	181.00100	135.6
[M-H]-	141.03056	128.2
[M+Na-2H]-	163.01251	129.1
[M]+	142.03729	126.6
[M]-	142.03839	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe