CID 19611072

57250-86-9

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CCOC(=O)C1=CSC(=N1)NC

InChI

InChI=1S/C7H10N2O2S/c1-3-11-6(10)5-4-12-7(8-2)9-5/h4H,3H2,1-2H3,(H,8,9)

InChIKey

FPJZLOPPFYUYAQ-UHFFFAOYSA-N

Compound name

ethyl 2-(methylamino)-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 186.0463 Da
Monoisotopic Mass: 1.8
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]+	187.05358	138.2
[M+Na]+	209.03552	146.7
[M-H]-	185.03902	141.1
[M+NH4]+	204.08012	158.9
[M+K]+	225.00946	145.2
[M+H-H2O]+	169.04356	131.9
[M+HCOO]-	231.04450	158.1
[M+CH3COO]-	245.06015	181.1
[M+Na-2H]-	207.02097	140.2
[M]+	186.04575	141.9
[M]-	186.04685	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe