CID 45787550

933705-29-4

Structural Information

Molecular Formula

C₈H₁₁BrN₂S

SMILES

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

InChI

InChI=1S/C8H11BrN2S/c9-7-6-10-8(12-7)11-4-2-1-3-5-11/h6H,1-5H2

InChIKey

VVMQJNGRRLUFGC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 245.98264 Da
Monoisotopic Mass: 3.3
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]+	246.98992	138.5
[M+Na]+	268.97186	150.2
[M-H]-	244.97536	145.5
[M+NH4]+	264.01646	159.7
[M+K]+	284.94580	139.4
[M+H-H2O]+	228.97990	138.6
[M+HCOO]-	290.98084	152.5
[M+CH3COO]-	304.99649	153.3
[M+Na-2H]-	266.95731	142.3
[M]+	245.98209	155.2
[M]-	245.98319	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe