CID 13561170

2,5-bis(aminomethyl)furan

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1=C(OC(=C1)CN)CN

InChI

InChI=1S/C6H10N2O/c7-3-5-1-2-6(4-8)9-5/h1-2H,3-4,7-8H2

InChIKey

VKLGKDZCKSMSHG-UHFFFAOYSA-N

Compound name

[5-(aminomethyl)furan-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 793
Patents: 126.079315 Da
Monoisotopic Mass: -1.2
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]+	127.08659	124.4
[M+Na]+	149.06853	134.0
[M+NH4]+	144.11314	132.7
[M+K]+	165.04247	131.2
[M-H]-	125.07204	127.8
[M+Na-2H]-	147.05398	129.2
[M]+	126.07877	126.4
[M]-	126.07986	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe