CID 448213

88910-22-9

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H9NO2/c7-3-5-1-2-6(4-8)9-5/h1-2,8H,3-4,7H2

InChIKey

AMANOVBJYCBOPN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 127.06333 Da
Monoisotopic Mass: -1.0
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]+	128.07061	123.5
[M+Na]+	150.05255	133.7
[M+NH4]+	145.09715	131.6
[M+K]+	166.02649	131.1
[M-H]-	126.05605	125.9
[M+Na-2H]-	148.03800	128.1
[M]+	127.06278	125.4
[M]-	127.06388	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe