CID 21186527

2416234-50-7

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1CC(CNC1)(CO)CO

InChI

InChI=1S/C7H15NO2/c9-5-7(6-10)2-1-3-8-4-7/h8-10H,1-6H2

InChIKey

HTTBCEVOEMVRBI-UHFFFAOYSA-N

Compound name

[3-(hydroxymethyl)piperidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 145.11028 Da
Monoisotopic Mass: -1.0
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]+	146.11756	132.8
[M+Na]+	168.09950	141.7
[M+NH4]+	163.14410	141.5
[M+K]+	184.07344	135.1
[M-H]-	144.10300	132.2
[M+Na-2H]-	166.08495	137.6
[M]+	145.10973	133.6
[M]-	145.11083	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe