CID 713653

Methyl 2-amino-4-methylthiazole-5-carboxylate

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CC1=C(SC(=N1)N)C(=O)OC
InChI
InChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3,(H2,7,8)
InChIKey
TYUGYIMCRDPMPJ-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

172.03065 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 135.6
[M+Na]+ 195.01987 145.1
[M+NH4]+ 190.06447 143.1
[M+K]+ 210.99381 140.9
[M-H]- 171.02337 136.1
[M+Na-2H]- 193.00532 139.0
[M]+ 172.03010 137.2
[M]- 172.03120 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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