CID 2735233

2-acetyl-3-aminothiophene

Structural Information

Molecular Formula

SMILES

CC(=O)C1=C(C=CS1)N

InChI

InChI=1S/C6H7NOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,7H2,1H3

InChIKey

MMLSKDGCLMDHAJ-UHFFFAOYSA-N

Compound name

1-(3-aminothiophen-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 141.02484 Da
Monoisotopic Mass: 1.5
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	137.8
[M+NH4]+	159.05866	137.0
[M+K]+	179.98800	132.7
[M-H]-	140.01756	129.8
[M+Na-2H]-	161.99951	132.6
[M]+	141.02429	130.1
[M]-	141.02539	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe