CID 609212

60093-05-2

Structural Information

Molecular Formula

C₆H₈N₂O₂S₂

SMILES

COC(=O)C1=C(N=C(S1)SC)N

InChI

InChI=1S/C6H8N2O2S2/c1-10-5(9)3-4(7)8-6(11-2)12-3/h7H2,1-2H3

InChIKey

GVNAJKLESILZHU-UHFFFAOYSA-N

Compound name

methyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 150
Patents: 204.00272 Da
Monoisotopic Mass: 2.2
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]+	205.01000	139.6
[M+Na]+	226.99194	149.3
[M-H]-	202.99544	142.1
[M+NH4]+	222.03654	159.7
[M+K]+	242.96588	146.1
[M+H-H2O]+	186.99998	133.9
[M+HCOO]-	249.00092	153.3
[M+CH3COO]-	263.01657	183.5
[M+Na-2H]-	224.97739	138.4
[M]+	204.00217	143.1
[M]-	204.00327	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe