CID 780427

Methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

COC(=O)CCC1=CSC(=N1)N

InChI

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

InChIKey

JWDGXHZFNYKFGE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 186.0463 Da
Monoisotopic Mass: 0.7
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	139.6
[M+Na]+	209.03552	148.6
[M+NH4]+	204.08012	147.0
[M+K]+	225.00946	144.0
[M-H]-	185.03902	140.0
[M+Na-2H]-	207.02097	143.0
[M]+	186.04575	141.1
[M]-	186.04685	141.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.