CID 98184

1-(piperidin-2-yl)ethane-1,2-diol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1CCNC(C1)C(CO)O

InChI

InChI=1S/C7H15NO2/c9-5-7(10)6-3-1-2-4-8-6/h6-10H,1-5H2

InChIKey

XRAQFAXRTAWZCA-UHFFFAOYSA-N

Compound name

1-piperidin-2-ylethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 145.11028 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]+	146.11756	132.7
[M+Na]+	168.09950	141.1
[M+NH4]+	163.14410	139.8
[M+K]+	184.07344	137.0
[M-H]-	144.10300	131.9
[M+Na-2H]-	166.08495	135.6
[M]+	145.10973	133.2
[M]-	145.11083	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe