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: 64
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]+	176.16451	141.7
[M+Na]+	198.14645	150.1
[M+NH4]+	193.19105	148.8
[M+K]+	214.12039	144.7
[M-H]-	174.14995	141.2
[M+Na-2H]-	196.13190	144.4
[M]+	175.15668	142.4
[M]-	175.15778	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe