CID 20540449

(3,3-diethoxypropyl)dimethylamine

Structural Information

Molecular Formula

C₉H₂₁NO₂

SMILES

CCOC(CCN(C)C)OCC

InChI

InChI=1S/C9H21NO2/c1-5-11-9(12-6-2)7-8-10(3)4/h9H,5-8H2,1-4H3

InChIKey

YNVCGLCZEGMEOS-UHFFFAOYSA-N

Compound name

3,3-diethoxy-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 175.15723 Da
Monoisotopic Mass: 1.2
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]+	176.164506	143.4
[M+Na]+	198.146448	148.4
[M-H]-	174.149954	144.6
[M+NH4]+	193.191053	164.2
[M+K]+	214.120388	150.2
[M+H-H2O]+	158.154490	137.6
[M+HCOO]-	220.155431	167.2
[M+CH3COO]-	234.171081	189.4
[M+Na-2H]-	196.131896	147.0
[M]+	175.15668142	148.6
[M]-	175.15777858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe