CID 64625288

1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine

Structural Information

Molecular Formula

C₇H₁₀BrN₃S

SMILES

C1CCN(CC1)C2=NN=C(S2)Br

InChI

InChI=1S/C7H10BrN3S/c8-6-9-10-7(12-6)11-4-2-1-3-5-11/h1-5H2

InChIKey

LRFWHDNXGNEGIW-UHFFFAOYSA-N

Compound name

2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 246.97787 Da
Monoisotopic Mass: 2.7
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]+	247.985146	136.5
[M+Na]+	269.967088	148.6
[M-H]-	245.970594	142.2
[M+NH4]+	265.011693	156.4
[M+K]+	285.941028	137.9
[M+H-H2O]+	229.975130	136.1
[M+HCOO]-	291.976071	149.6
[M+CH3COO]-	305.991721	151.0
[M+Na-2H]-	267.952536	140.7
[M]+	246.97732142	153.2
[M]-	246.97841858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe