CID 840099

Methyl 2-aminothiazole-4-carboxylate

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

COC(=O)C1=CSC(=N1)N

InChI

InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7)

InChIKey

WYVZZWKIKAKUKV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 361
Patents: 158.015 Da
Monoisotopic Mass: 0.8
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]+	159.02228	131.0
[M+Na]+	181.00422	140.3
[M+NH4]+	176.04882	138.7
[M+K]+	196.97816	136.2
[M-H]-	157.00772	131.5
[M+Na-2H]-	178.98967	134.9
[M]+	158.01445	132.5
[M]-	158.01555	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe