CID 11971344

94231-64-8

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C1CC(CN(C1)CCO)CO

InChI

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

InChIKey

VFSVQEBUBVGABB-UHFFFAOYSA-N

Compound name

2-[3-(hydroxymethyl)piperidin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 159.12593 Da
Monoisotopic Mass: -0.4
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]+	160.133206	137.0
[M+Na]+	182.115148	141.7
[M-H]-	158.118654	135.6
[M+NH4]+	177.159753	155.1
[M+K]+	198.089088	139.9
[M+H-H2O]+	142.123190	131.0
[M+HCOO]-	204.124131	153.6
[M+CH3COO]-	218.139781	171.9
[M+Na-2H]-	180.100596	141.0
[M]+	159.12538142	132.2
[M]-	159.12647858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe