CID 155820092

3-(piperidin-4-yl)oxetan-3-ol

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CNCCC1C2(COC2)O

InChI

InChI=1S/C8H15NO2/c10-8(5-11-6-8)7-1-3-9-4-2-7/h7,9-10H,1-6H2

InChIKey

KFWFWKOOCIJXHR-UHFFFAOYSA-N

Compound name

3-piperidin-4-yloxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.11028 Da
Monoisotopic Mass: -0.6
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]+	158.11756	131.0
[M+Na]+	180.09950	134.3
[M-H]-	156.10300	133.4
[M+NH4]+	175.14410	143.0
[M+K]+	196.07344	136.7
[M+H-H2O]+	140.10754	120.5
[M+HCOO]-	202.10848	145.3
[M+CH3COO]-	216.12413	172.4
[M+Na-2H]-	178.08495	137.6
[M]+	157.10973	132.9
[M]-	157.11083	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.