CID 17750405

1909309-59-6

Structural Information

Molecular Formula

C₆H₇BrN₂S

SMILES

C1CNCC2=C1N=C(S2)Br

InChI

InChI=1S/C6H7BrN2S/c7-6-9-4-1-2-8-3-5(4)10-6/h8H,1-3H2

InChIKey

UIBFPUKBRPPEBC-UHFFFAOYSA-N

Compound name

2-bromo-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 217.95132 Da
Monoisotopic Mass: 1.5
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]+	218.95860	130.1
[M+Na]+	240.94054	143.1
[M-H]-	216.94404	133.9
[M+NH4]+	235.98514	152.9
[M+K]+	256.91448	131.7
[M+H-H2O]+	200.94858	131.3
[M+HCOO]-	262.94952	143.0
[M+CH3COO]-	276.96517	145.2
[M+Na-2H]-	238.92599	136.0
[M]+	217.95077	146.9
[M]-	217.95187	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe