CID 97824

4847-93-2

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

2
Annotation Hits: 1
References: 37345
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	137.6
[M+Na]+	182.11515	141.1
[M-H]-	158.11865	135.9
[M+NH4]+	177.15975	155.3
[M+K]+	198.08909	139.7
[M+H-H2O]+	142.12319	131.4
[M+HCOO]-	204.12413	153.2
[M+CH3COO]-	218.13978	171.7
[M+Na-2H]-	180.10060	141.0
[M]+	159.12538	131.8
[M]-	159.12648	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe