CID 3053260

Piperidine, 2,6-bis(bromomethyl)-, monohydrobromide

Structural Information

Molecular Formula

C₇H₁₃Br₂N

SMILES

C1CC(NC(C1)CBr)CBr

InChI

InChI=1S/C7H13Br2N/c8-4-6-2-1-3-7(5-9)10-6/h6-7,10H,1-5H2

InChIKey

QGNSZKGCLQPGMW-UHFFFAOYSA-N

Compound name

2,6-bis(bromomethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.94147 Da
Monoisotopic Mass: 2.3
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]+	269.94875	139.4
[M+Na]+	291.93069	148.0
[M-H]-	267.93419	143.3
[M+NH4]+	286.97529	157.9
[M+K]+	307.90463	132.4
[M+H-H2O]+	251.93873	147.6
[M+HCOO]-	313.93967	151.1
[M+CH3COO]-	327.95532	197.1
[M+Na-2H]-	289.91614	145.5
[M]+	268.94092	168.7
[M]-	268.94202	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe