CID 137935708

1824287-37-7

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]+ 297.93932 147.6
[M+Na]+ 319.92126 149.8
[M-H]- 295.92476 143.7
[M+NH4]+ 314.96586 163.6
[M+K]+ 335.89520 154.0
[M+H-H2O]+ 279.92930 138.2
[M+HCOO]- 341.93024 161.6
[M+CH3COO]- 355.94589 187.7
[M+Na-2H]- 317.90671 136.9
[M]+ 296.93149 149.5
[M]- 296.93259 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.