CID 104454

4-thiazoleacetic acid, 2-amino-, ethyl ester

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CCOC(=O)CC1=CSC(=N1)N
InChI
InChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKey
SHQNGLYXRFCPGZ-UHFFFAOYSA-N
Compound name
ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1255
Patents

186.0463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 138.4
[M+Na]+ 209.03552 146.9
[M-H]- 185.03902 140.9
[M+NH4]+ 204.08012 158.9
[M+K]+ 225.00946 145.1
[M+H-H2O]+ 169.04356 132.1
[M+HCOO]- 231.04450 157.8
[M+CH3COO]- 245.06015 180.4
[M+Na-2H]- 207.02097 139.5
[M]+ 186.04575 141.1
[M]- 186.04685 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe