CID 126651513

4-(2-bromoethynyl)piperidin-4-ol hydrochloride

Structural Information

Molecular Formula

C₇H₁₀BrNO

SMILES

C1CNCCC1(C#CBr)O

InChI

InChI=1S/C7H10BrNO/c8-4-1-7(10)2-5-9-6-3-7/h9-10H,2-3,5-6H2

InChIKey

ZRKWBWYLKIELQK-UHFFFAOYSA-N

Compound name

4-(2-bromoethynyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.99458 Da
Monoisotopic Mass: 0.6
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]+	204.001856	133.6
[M+Na]+	225.983798	145.2
[M-H]-	201.987304	133.4
[M+NH4]+	221.028403	152.9
[M+K]+	241.957738	132.3
[M+H-H2O]+	185.991840	128.7
[M+HCOO]-	247.992781	146.0
[M+CH3COO]-	262.008431	183.0
[M+Na-2H]-	223.969246	140.4
[M]+	202.99403142	139.4
[M]-	202.99512858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.