CID 82651409

[3-(aminomethyl)oxan-3-yl]methanol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1CC(COC1)(CN)CO

InChI

InChI=1S/C7H15NO2/c8-4-7(5-9)2-1-3-10-6-7/h9H,1-6,8H2

InChIKey

KAALOZPBBZWIRR-UHFFFAOYSA-N

Compound name

[3-(aminomethyl)oxan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.11028 Da
Monoisotopic Mass: -0.9
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	131.3
[M+Na]+	168.09950	140.4
[M+NH4]+	163.14410	140.9
[M+K]+	184.07344	133.9
[M-H]-	144.10300	134.1
[M+Na-2H]-	166.08495	136.7
[M]+	145.10973	133.3
[M]-	145.11083	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.