CID 3154447

56709-51-4

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CN1CCC(CC1)NCCO

InChI

InChI=1S/C8H18N2O/c1-10-5-2-8(3-6-10)9-4-7-11/h8-9,11H,2-7H2,1H3

InChIKey

JOXBDJWQOVQCOT-UHFFFAOYSA-N

Compound name

2-[(1-methylpiperidin-4-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 16
Patents: 158.1419 Da
Monoisotopic Mass: -0.3
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]+	159.149176	137.0
[M+Na]+	181.131118	141.3
[M-H]-	157.134624	136.9
[M+NH4]+	176.175723	155.5
[M+K]+	197.105058	139.8
[M+H-H2O]+	141.139160	130.5
[M+HCOO]-	203.140101	155.9
[M+CH3COO]-	217.155751	177.4
[M+Na-2H]-	179.116566	141.8
[M]+	158.14135142	131.9
[M]-	158.14244858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe