CID 13329095

31785-05-4

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

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

InChI

InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3,8H2,1-2H3

InChIKey

HNDBOQZBZYRXMF-UHFFFAOYSA-N

Compound name

ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 186.0463 Da
Monoisotopic Mass: 2.1
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]+	187.05358	139.9
[M+Na]+	209.03552	149.2
[M+NH4]+	204.08012	147.3
[M+K]+	225.00946	144.8
[M-H]-	185.03902	140.4
[M+Na-2H]-	207.02097	143.0
[M]+	186.04575	141.5
[M]-	186.04685	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe