CID 45117588

Ethyl 2-amino-5-iodothiazole-4-carboxylate

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: 73
Patents: 297.9273 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.93458	152.3
[M+Na]+	320.91652	154.0
[M+NH4]+	315.96112	155.2
[M+K]+	336.89046	152.6
[M-H]-	296.92002	146.4
[M+Na-2H]-	318.90197	142.6
[M]+	297.92675	149.9
[M]-	297.92785	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe