CID 12143947

852108-07-7

Structural Information

Molecular Formula

C₈H₈N₂S₂

SMILES

C1=CSC(=C1)CC2=CN=C(S2)N

InChI

InChI=1S/C8H8N2S2/c9-8-10-5-7(12-8)4-6-2-1-3-11-6/h1-3,5H,4H2,(H2,9,10)

InChIKey

LUVCQVSFYRYSGX-UHFFFAOYSA-N

Compound name

5-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.0129 Da
Monoisotopic Mass: 2.3
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]+	197.02018	137.6
[M+Na]+	219.00212	149.0
[M+NH4]+	214.04672	147.6
[M+K]+	234.97606	142.1
[M-H]-	195.00562	142.0
[M+Na-2H]-	216.98757	144.4
[M]+	196.01235	141.4
[M]-	196.01345	141.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.