CID 4445158

Methyl 2-aminobenzo[d]thiazole-4-carboxylate

Structural Information

Molecular Formula

C₉H₈N₂O₂S

SMILES

COC(=O)C1=C2C(=CC=C1)SC(=N2)N

InChI

InChI=1S/C9H8N2O2S/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3,(H2,10,11)

InChIKey

JWSQSUAAMGQUJI-UHFFFAOYSA-N

Compound name

methyl 2-amino-1,3-benzothiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 208.03065 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]+	209.037926	140.8
[M+Na]+	231.019868	151.9
[M-H]-	207.023374	145.0
[M+NH4]+	226.064473	161.9
[M+K]+	246.993808	148.8
[M+H-H2O]+	191.027910	135.0
[M+HCOO]-	253.028851	161.1
[M+CH3COO]-	267.044501	184.7
[M+Na-2H]-	229.005316	144.6
[M]+	208.03010142	145.2
[M]-	208.03119858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe