CID 4356513

64987-08-2

Structural Information

Molecular Formula

C₇H₈N₂O₃S

SMILES

CCOC(=O)C(=O)C1=CSC(=N1)N

InChI

InChI=1S/C7H8N2O3S/c1-2-12-6(11)5(10)4-3-13-7(8)9-4/h3H,2H2,1H3,(H2,8,9)

InChIKey

XNVRKLCQBZTGNA-UHFFFAOYSA-N

Compound name

ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 276
Patents: 200.02556 Da
Monoisotopic Mass: 1.0
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]+	201.03284	142.6
[M+Na]+	223.01478	150.7
[M+NH4]+	218.05938	149.0
[M+K]+	238.98872	147.4
[M-H]-	199.01828	142.0
[M+Na-2H]-	221.00023	145.1
[M]+	200.02501	143.5
[M]-	200.02611	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe