CID 18526060

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

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

CCOC(=O)CC1=C(SC(=N1)N)C

InChI

InChI=1S/C8H12N2O2S/c1-3-12-7(11)4-6-5(2)13-8(9)10-6/h3-4H2,1-2H3,(H2,9,10)

InChIKey

SNCDTMINSVKXML-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 200.06195 Da
Monoisotopic Mass: 1.2
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]+	201.069226	142.6
[M+Na]+	223.051168	151.5
[M-H]-	199.054674	145.2
[M+NH4]+	218.095773	162.8
[M+K]+	239.025108	149.4
[M+H-H2O]+	183.059210	136.4
[M+HCOO]-	245.060151	161.5
[M+CH3COO]-	259.075801	184.6
[M+Na-2H]-	221.036616	142.5
[M]+	200.06140142	146.0
[M]-	200.06249858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe