CID 3665922

31007-28-0

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

COC(CCN1CCCCC1)OC

InChI

InChI=1S/C10H21NO2/c1-12-10(13-2)6-9-11-7-4-3-5-8-11/h10H,3-9H2,1-2H3

InChIKey

ALCCJPFPDHQXAE-UHFFFAOYSA-N

Compound name

1-(3,3-dimethoxypropyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.15723 Da
Monoisotopic Mass: 1.3
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]+	188.16451	145.3
[M+Na]+	210.14645	148.8
[M-H]-	186.14995	146.1
[M+NH4]+	205.19105	163.3
[M+K]+	226.12039	148.8
[M+H-H2O]+	170.15449	138.2
[M+HCOO]-	232.15543	163.3
[M+CH3COO]-	246.17108	183.0
[M+Na-2H]-	208.13190	148.7
[M]+	187.15668	144.0
[M]-	187.15778	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.