CID 436152

10021-67-7

Structural Information

Molecular Formula

SMILES

C1=CSC(=C1)C(CN)O

InChI

InChI=1S/C6H9NOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2

InChIKey

LOULKRKJFMPTJQ-UHFFFAOYSA-N

Compound name

2-amino-1-thiophen-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 143.04048 Da
Monoisotopic Mass: -0.2
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]+	144.04776	128.1
[M+Na]+	166.02970	137.0
[M+NH4]+	161.07430	137.0
[M+K]+	182.00364	132.1
[M-H]-	142.03320	129.6
[M+Na-2H]-	164.01515	132.5
[M]+	143.03993	129.9
[M]-	143.04103	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe