CID 3288235

6449-64-5

Structural Information

Molecular Formula

SMILES

C1=CSC(=C1)CC(=N)N

InChI

InChI=1S/C6H8N2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H3,7,8)

InChIKey

FGEMXCIELABZBO-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 140.04082 Da
Monoisotopic Mass: 0.4
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]+	141.04810	127.3
[M+Na]+	163.03004	134.5
[M-H]-	139.03354	130.8
[M+NH4]+	158.07464	150.2
[M+K]+	179.00398	132.0
[M+H-H2O]+	123.03808	121.5
[M+HCOO]-	185.03902	148.5
[M+CH3COO]-	199.05467	175.2
[M+Na-2H]-	161.01549	129.8
[M]+	140.04027	125.2
[M]-	140.04137	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe