CID 738059

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

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
COC(=O)CC1=CSC(=N1)N
InChI
InChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
InChIKey
XTQKFBGFHDNUFY-UHFFFAOYSA-N
Compound name
methyl 2-(2-amino-1,3-thiazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

262
Patents

172.03065 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 134.0
[M+Na]+ 195.01987 142.9
[M-H]- 171.02337 136.6
[M+NH4]+ 190.06447 155.0
[M+K]+ 210.99381 141.3
[M+H-H2O]+ 155.02791 127.9
[M+HCOO]- 217.02885 153.6
[M+CH3COO]- 231.04450 177.4
[M+Na-2H]- 193.00532 135.5
[M]+ 172.03010 136.3
[M]- 172.03120 136.3
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