CID 22163126

1314925-92-2

Structural Information

Molecular Formula

SMILES

C1=COC=C1C(CN)O

InChI

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

InChIKey

AKMQTTJUDZQMDN-UHFFFAOYSA-N

Compound name

2-amino-1-(furan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	128.070606	124.6
[M+Na]+	150.052548	131.5
[M-H]-	126.056054	127.2
[M+NH4]+	145.097153	145.8
[M+K]+	166.026488	131.5
[M+H-H2O]+	110.060590	119.4
[M+HCOO]-	172.061531	148.2
[M+CH3COO]-	186.077181	168.7
[M+Na-2H]-	148.037996	130.5
[M]+	127.06278142	123.2
[M]-	127.06387858	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe