CID 22989523

2-[4-(2-hydroxyethyl)piperidin-4-yl]ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

C1CNCCC1(CCO)CCO

InChI

InChI=1S/C9H19NO2/c11-7-3-9(4-8-12)1-5-10-6-2-9/h10-12H,1-8H2

InChIKey

JEJFQCLSTZAVLE-UHFFFAOYSA-N

Compound name

2-[4-(2-hydroxyethyl)piperidin-4-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 173.14159 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]+	174.14887	142.4
[M+Na]+	196.13081	146.2
[M-H]-	172.13431	139.4
[M+NH4]+	191.17541	160.9
[M+K]+	212.10475	143.5
[M+H-H2O]+	156.13885	137.1
[M+HCOO]-	218.13979	157.1
[M+CH3COO]-	232.15544	170.9
[M+Na-2H]-	194.11626	147.1
[M]+	173.14104	136.0
[M]-	173.14214	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe