CID 13994547

114094-45-0

Structural Information

Molecular Formula

C₉H₂₁NO₂

SMILES

CCOC(CCCNC)OCC

InChI

InChI=1S/C9H21NO2/c1-4-11-9(12-5-2)7-6-8-10-3/h9-10H,4-8H2,1-3H3

InChIKey

PUDDNHSIGUYGOH-UHFFFAOYSA-N

Compound name

4,4-diethoxy-N-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 175.15723 Da
Monoisotopic Mass: 1.1
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	148.2
[M-H]-	174.149954	143.0
[M+NH4]+	193.191053	163.4
[M+K]+	214.120388	148.5
[M+H-H2O]+	158.154490	137.7
[M+HCOO]-	220.155431	166.7
[M+CH3COO]-	234.171081	185.9
[M+Na-2H]-	196.131896	147.7
[M]+	175.15668142	147.2
[M]-	175.15777858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe