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

literature stripe

Patent stripe

patents stripe