CID 45117588

860646-12-4

Structural Information

Molecular Formula
C6H7IN2O2S
SMILES
CCOC(=O)C1=C(SC(=N1)N)I
InChI
InChI=1S/C6H7IN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
InChIKey
KTNLDLYUFMOCFN-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-iodo-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

297.9273 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.934576 150.0
[M+Na]+ 320.916518 152.3
[M-H]- 296.920024 145.9
[M+NH4]+ 315.961123 165.4
[M+K]+ 336.890458 156.1
[M+H-H2O]+ 280.924560 140.3
[M+HCOO]- 342.925501 164.3
[M+CH3COO]- 356.941151 189.9
[M+Na-2H]- 318.901966 138.3
[M]+ 297.92675142 150.0
[M]- 297.92784858 150.0
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