CID 80672

4,4-diethoxybutan-1-amine

Structural Information

Molecular Formula

C₈H₁₉NO₂

SMILES

CCOC(CCCN)OCC

InChI

InChI=1S/C8H19NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3

InChIKey

GFLPSABXBDCMCN-UHFFFAOYSA-N

Compound name

4,4-diethoxybutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1705
Patents: 161.14159 Da
Monoisotopic Mass: 0.6
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]+	162.14887	137.3
[M+Na]+	184.13081	145.5
[M+NH4]+	179.17541	144.4
[M+K]+	200.10475	140.6
[M-H]-	160.13431	136.6
[M+Na-2H]-	182.11626	139.8
[M]+	161.14104	137.9
[M]-	161.14214	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe