CID 72206960

1379345-32-0

Structural Information

Molecular Formula

C₉H₁₀BrNO₂S

SMILES

CCOC(=O)C1=C(SC(=N1)C2CC2)Br

InChI

InChI=1S/C9H10BrNO2S/c1-2-13-9(12)6-7(10)14-8(11-6)5-3-4-5/h5H,2-4H2,1H3

InChIKey

DBUNWADDTYMNEE-UHFFFAOYSA-N

Compound name

ethyl 5-bromo-2-cyclopropyl-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 274.96155 Da
Monoisotopic Mass: 3.1
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]+	275.96883	139.6
[M+Na]+	297.95077	143.1
[M+NH4]+	292.99537	144.9
[M+K]+	313.92471	145.1
[M-H]-	273.95427	145.8
[M+Na-2H]-	295.93622	144.4
[M]+	274.96100	142.0
[M]-	274.96210	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe