CID 17609307

234450-62-5

Structural Information

Molecular Formula

C₆H₄N₂O₂S₂

SMILES

C1=C(SC2=C1SC(=N2)N)C(=O)O

InChI

InChI=1S/C6H4N2O2S2/c7-6-8-4-2(12-6)1-3(11-4)5(9)10/h1H,(H2,7,8)(H,9,10)

InChIKey

YQBNNXSTYCYBBA-UHFFFAOYSA-N

Compound name

2-aminothieno[2,3-d][1,3]thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.97142 Da
Monoisotopic Mass: 1.9
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]+	200.97870	136.9
[M+Na]+	222.96064	149.2
[M-H]-	198.96414	140.1
[M+NH4]+	218.00524	159.6
[M+K]+	238.93458	145.3
[M+H-H2O]+	182.96868	133.1
[M+HCOO]-	244.96962	151.8
[M+CH3COO]-	258.98527	151.0
[M+Na-2H]-	220.94609	137.6
[M]+	199.97087	140.8
[M]-	199.97197	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe