CID 61286355

2-(oxan-4-yloxy)ethan-1-amine

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1COCCC1OCCN

InChI

InChI=1S/C7H15NO2/c8-3-6-10-7-1-4-9-5-2-7/h7H,1-6,8H2

InChIKey

UUPHRQRZJVSBPH-UHFFFAOYSA-N

Compound name

2-(oxan-4-yloxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 145.11028 Da
Monoisotopic Mass: -0.5
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	131.2
[M+Na]+	168.09950	135.4
[M-H]-	144.10300	134.0
[M+NH4]+	163.14410	150.4
[M+K]+	184.07344	136.2
[M+H-H2O]+	128.10754	125.2
[M+HCOO]-	190.10848	152.0
[M+CH3COO]-	204.12413	174.5
[M+Na-2H]-	166.08495	137.7
[M]+	145.10973	127.8
[M]-	145.11083	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe