CID 2756441

2745-22-4

Structural Information

Molecular Formula

SMILES

C1=COC(=C1)C(CN)O

InChI

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

InChIKey

JWQAFPHYLSGNSK-UHFFFAOYSA-N

Compound name

2-amino-1-(furan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 69
Patents: 127.06333 Da
Monoisotopic Mass: -0.8
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	124.5
[M+Na]+	150.05255	133.9
[M+NH4]+	145.09715	132.4
[M+K]+	166.02649	131.9
[M-H]-	126.05605	126.6
[M+Na-2H]-	148.03800	128.9
[M]+	127.06278	126.1
[M]-	127.06388	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe