CID 132327881

2126159-56-4

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

COC1(CCOCC1CCN)OC

InChI

InChI=1S/C9H19NO3/c1-11-9(12-2)4-6-13-7-8(9)3-5-10/h8H,3-7,10H2,1-2H3

InChIKey

QVMQWJMLBRVCJQ-UHFFFAOYSA-N

Compound name

2-(4,4-dimethoxyoxan-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.13649 Da
Monoisotopic Mass: -0.4
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]+	190.14377	142.2
[M+Na]+	212.12571	151.3
[M+NH4]+	207.17031	151.2
[M+K]+	228.09965	144.8
[M-H]-	188.12921	144.9
[M+Na-2H]-	210.11116	147.0
[M]+	189.13594	144.2
[M]-	189.13704	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.