CID 384908

39736-29-3

Structural Information

Molecular Formula
C7H10N2O2S2
SMILES
CCOC(=O)C1=C(N=C(S1)SC)N
InChI
InChI=1S/C7H10N2O2S2/c1-3-11-6(10)4-5(8)9-7(12-2)13-4/h3,8H2,1-2H3
InChIKey
WAFDSQXKSGGKCD-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

63
Patents

218.01837 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02565 143.8
[M+Na]+ 241.00759 153.1
[M-H]- 217.01109 146.2
[M+NH4]+ 236.05219 163.3
[M+K]+ 256.98153 149.6
[M+H-H2O]+ 201.01563 137.9
[M+HCOO]- 263.01657 157.2
[M+CH3COO]- 277.03222 186.4
[M+Na-2H]- 238.99304 142.2
[M]+ 218.01782 147.7
[M]- 218.01892 147.7
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

No patent data available for this compound.