CID 137935708

Ethyl 2-(2-iodo-1,3-thiazol-4-yl)acetate

Structural Information

Molecular Formula
C7H8INO2S
SMILES
CCOC(=O)CC1=CSC(=N1)I
InChI
InChI=1S/C7H8INO2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3
InChIKey
OLMDGOFLCZMJCL-UHFFFAOYSA-N
Compound name
ethyl 2-(2-iodo-1,3-thiazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.93204 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.939316 147.6
[M+Na]+ 319.921258 149.8
[M-H]- 295.924764 143.7
[M+NH4]+ 314.965863 163.6
[M+K]+ 335.895198 154.0
[M+H-H2O]+ 279.929300 138.2
[M+HCOO]- 341.930241 161.6
[M+CH3COO]- 355.945891 187.7
[M+Na-2H]- 317.906706 136.9
[M]+ 296.93149142 149.5
[M]- 296.93258858 149.5
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.