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

44
Patents

200.06195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 142.6
[M+Na]+ 223.05117 151.5
[M-H]- 199.05467 145.2
[M+NH4]+ 218.09577 162.8
[M+K]+ 239.02511 149.4
[M+H-H2O]+ 183.05921 136.4
[M+HCOO]- 245.06015 161.5
[M+CH3COO]- 259.07580 184.6
[M+Na-2H]- 221.03662 142.5
[M]+ 200.06140 146.0
[M]- 200.06250 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe