CID 214853

34467-12-4

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
CCOC(=O)C1=C(N2CCN=C2S1)C
InChI
InChI=1S/C9H12N2O2S/c1-3-13-8(12)7-6(2)11-5-4-10-9(11)14-7/h3-5H2,1-2H3
InChIKey
LYDCZKDPCCSYDX-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

212.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 146.7
[M+Na]+ 235.05117 156.8
[M-H]- 211.05467 149.5
[M+NH4]+ 230.09577 168.6
[M+K]+ 251.02511 155.3
[M+H-H2O]+ 195.05921 141.2
[M+HCOO]- 257.06015 163.3
[M+CH3COO]- 271.07580 184.3
[M+Na-2H]- 233.03662 146.1
[M]+ 212.06140 151.5
[M]- 212.06250 151.5
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