CID 2763571

259654-73-4

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CC1=C(N=C(S1)N)CC(=O)OC

InChI

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

InChIKey

LJTGLNPZNUZMIZ-UHFFFAOYSA-N

Compound name

methyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 186.0463 Da
Monoisotopic Mass: 0.8
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	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

No literature data available for this compound.

Patent stripe

patents stripe