CID 45792427

3-[3-(piperidin-1-yl)propoxy]propan-1-ol

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

C1CCN(CC1)CCCOCCCO

InChI

InChI=1S/C11H23NO2/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h13H,1-11H2

InChIKey

SDNTUTORVOONKH-UHFFFAOYSA-N

Compound name

3-(3-piperidin-1-ylpropoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 201.17288 Da
Monoisotopic Mass: 1.0
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]+	202.18016	149.9
[M+Na]+	224.16210	152.8
[M-H]-	200.16560	148.9
[M+NH4]+	219.20670	166.7
[M+K]+	240.13604	151.1
[M+H-H2O]+	184.17014	142.7
[M+HCOO]-	246.17108	167.0
[M+CH3COO]-	260.18673	182.5
[M+Na-2H]-	222.14755	153.5
[M]+	201.17233	147.7
[M]-	201.17343	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe