CID 4320741

Dtxsid70401888

Structural Information

Molecular Formula

C₆H₈N₂O₂S₂

SMILES

CCOC(=O)C1=C(SC(=S)N1)N

InChI

InChI=1S/C6H8N2O2S2/c1-2-10-5(9)3-4(7)12-6(11)8-3/h2,7H2,1H3,(H,8,11)

InChIKey

RQPDYIIMTWIRCQ-UHFFFAOYSA-N

Compound name

ethyl 5-amino-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 204.00272 Da
Monoisotopic Mass: 1.4
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]+	205.009996	139.7
[M+Na]+	226.991938	149.2
[M-H]-	202.995444	140.8
[M+NH4]+	222.036543	159.0
[M+K]+	242.965878	144.4
[M+H-H2O]+	186.999980	134.2
[M+HCOO]-	249.000921	152.0
[M+CH3COO]-	263.016571	180.2
[M+Na-2H]-	224.977386	138.1
[M]+	204.00217142	140.7
[M]-	204.00326858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe