CID 738059

64987-16-2

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

COC(=O)CC1=CSC(=N1)N

InChI

InChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)

InChIKey

XTQKFBGFHDNUFY-UHFFFAOYSA-N

Compound name

methyl 2-(2-amino-1,3-thiazol-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 282
Patents: 172.03065 Da
Monoisotopic Mass: 0.4
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]+	173.03793	135.3
[M+Na]+	195.01987	144.5
[M+NH4]+	190.06447	142.9
[M+K]+	210.99381	140.1
[M-H]-	171.02337	135.8
[M+Na-2H]-	193.00532	139.0
[M]+	172.03010	136.8
[M]-	172.03120	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe