CID 557469

4,4-dimethoxypiperidine

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

COC1(CCNCC1)OC

InChI

InChI=1S/C7H15NO2/c1-9-7(10-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3

InChIKey

ONHQQEBZVXXMRC-UHFFFAOYSA-N

Compound name

4,4-dimethoxypiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 145.11028 Da
Monoisotopic Mass: 0.0
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]+	146.11756	131.8
[M+Na]+	168.09950	137.4
[M-H]-	144.10300	132.1
[M+NH4]+	163.14410	152.9
[M+K]+	184.07344	137.0
[M+H-H2O]+	128.10754	126.4
[M+HCOO]-	190.10848	150.3
[M+CH3COO]-	204.12413	169.9
[M+Na-2H]-	166.08495	138.7
[M]+	145.10973	128.5
[M]-	145.11083	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe