CID 119085309

1373046-14-0

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

COC(=O)C1=NC(=CS1)N

InChI

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

InChIKey

PPKCERFFMKSUBW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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

No literature data available for this compound.

Patent stripe

patents stripe