CID 45787555

933696-74-3

Structural Information

Molecular Formula

C₇H₉BrN₂S

SMILES

C1CCN(C1)C2=NC=C(S2)Br

InChI

InChI=1S/C7H9BrN2S/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2

InChIKey

ZKEGFBGVGXMOKL-UHFFFAOYSA-N

Compound name

5-bromo-2-pyrrolidin-1-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 231.96698 Da
Monoisotopic Mass: 2.9
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]+	232.974256	137.1
[M+Na]+	254.956198	150.6
[M-H]-	230.959704	144.9
[M+NH4]+	250.000803	160.8
[M+K]+	270.930138	140.6
[M+H-H2O]+	214.964240	137.6
[M+HCOO]-	276.965181	153.6
[M+CH3COO]-	290.980831	153.1
[M+Na-2H]-	252.941646	139.6
[M]+	231.96643142	155.6
[M]-	231.96752858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe