CID 163950463

Methyl 4-iodo-1,3-thiazole-2-carboxylate

Structural Information

Molecular Formula
C5H4INO2S
SMILES
COC(=O)C1=NC(=CS1)I
InChI
InChI=1S/C5H4INO2S/c1-9-5(8)4-7-3(6)2-10-4/h2H,1H3
InChIKey
RYVUFWMGINWJIE-UHFFFAOYSA-N
Compound name
methyl 4-iodo-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.90076 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.90804 138.1
[M+Na]+ 291.88998 141.1
[M-H]- 267.89348 134.5
[M+NH4]+ 286.93458 155.1
[M+K]+ 307.86392 145.8
[M+H-H2O]+ 251.89802 129.0
[M+HCOO]- 313.89896 152.7
[M+CH3COO]- 327.91461 182.1
[M+Na-2H]- 289.87543 128.4
[M]+ 268.90021 139.3
[M]- 268.90131 139.3
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

patents stripe