CID 97824

3-piperidino-1,2-propanediol

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C1CCN(CC1)CC(CO)O

InChI

InChI=1S/C8H17NO2/c10-7-8(11)6-9-4-2-1-3-5-9/h8,10-11H,1-7H2

InChIKey

MECNWXGGNCJFQJ-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37208
Patents: 159.12593 Da
Monoisotopic Mass: -0.2
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]+	160.13321	136.7
[M+Na]+	182.11515	145.5
[M+NH4]+	177.15975	144.1
[M+K]+	198.08909	140.9
[M-H]-	158.11865	136.5
[M+Na-2H]-	180.10060	140.0
[M]+	159.12538	137.5
[M]-	159.12648	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe