CID 23070132

5-(aminomethyl)furan-2-carboxamide hydrochloride

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1=C(OC(=C1)C(=O)N)CN

InChI

InChI=1S/C6H8N2O2/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H2,8,9)

InChIKey

JTTFWLPDBVLKEB-UHFFFAOYSA-N

Compound name

5-(aminomethyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 140.05858 Da
Monoisotopic Mass: -0.9
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]+	141.06586	127.6
[M+Na]+	163.04780	136.4
[M+NH4]+	158.09240	135.0
[M+K]+	179.02174	134.9
[M-H]-	139.05130	130.1
[M+Na-2H]-	161.03325	131.5
[M]+	140.05803	129.1
[M]-	140.05913	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe