CID 66090024

2-[3-(aminomethyl)oxolan-3-yl]ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1COCC1(CCO)CN

InChI

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

InChIKey

QZFVKXCEBXGBIT-UHFFFAOYSA-N

Compound name

2-[3-(aminomethyl)oxolan-3-yl]ethanol

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	131.0
[M+Na]+	168.09950	136.6
[M-H]-	144.10300	132.9
[M+NH4]+	163.14410	153.4
[M+K]+	184.07344	136.5
[M+H-H2O]+	128.10754	126.5
[M+HCOO]-	190.10848	152.3
[M+CH3COO]-	204.12413	171.2
[M+Na-2H]-	166.08495	137.0
[M]+	145.10973	128.1
[M]-	145.11083	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.