CID 672215

70996-65-5

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H7NOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4,7H2

InChIKey

CDRVJDMCHHVZIM-UHFFFAOYSA-N

Compound name

2-amino-1-thiophen-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 141.02484 Da
Monoisotopic Mass: 0.3
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]+	142.03212	127.9
[M+Na]+	164.01406	137.4
[M+NH4]+	159.05866	136.9
[M+K]+	179.98800	132.1
[M-H]-	140.01756	129.8
[M+Na-2H]-	161.99951	132.8
[M]+	141.02429	130.0
[M]-	141.02539	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe