CID 737585

28942-54-3

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CCC1=C(N=C(S1)N)C(=O)OC

InChI

InChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3,(H2,8,9)

InChIKey

GIAXMSUPTGGVFG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 186.0463 Da
Monoisotopic Mass: 1.6
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	138.1
[M+Na]+	209.03552	147.5
[M-H]-	185.03902	140.9
[M+NH4]+	204.08012	158.9
[M+K]+	225.00946	145.6
[M+H-H2O]+	169.04356	132.1
[M+HCOO]-	231.04450	157.4
[M+CH3COO]-	245.06015	181.6
[M+Na-2H]-	207.02097	138.5
[M]+	186.04575	141.2
[M]-	186.04685	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe