CID 547078

1116-77-4

Structural Information

Molecular Formula

C₁₀H₂₃NO₂

SMILES

CCOC(CCCN(C)C)OCC

InChI

InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3

InChIKey

QKXMWBLNSPNBEY-UHFFFAOYSA-N

Compound name

4,4-diethoxy-N,N-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 189.17288 Da
Monoisotopic Mass: 1.6
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]+	190.18016	148.1
[M+Na]+	212.16210	152.7
[M-H]-	188.16560	149.1
[M+NH4]+	207.20670	168.3
[M+K]+	228.13604	154.2
[M+H-H2O]+	172.17014	142.1
[M+HCOO]-	234.17108	171.6
[M+CH3COO]-	248.18673	192.4
[M+Na-2H]-	210.14755	151.2
[M]+	189.17233	153.6
[M]-	189.17343	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe