CID 521029

1-amino-3,3-diethoxypropane

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

CCOC(CCN)OCC

InChI

InChI=1S/C7H17NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6,8H2,1-2H3

InChIKey

PXXMSHBZYAOHBD-UHFFFAOYSA-N

Compound name

3,3-diethoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1126
Patents: 147.12593 Da
Monoisotopic Mass: 0.2
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]+	148.13321	132.8
[M+Na]+	170.11515	141.3
[M+NH4]+	165.15975	140.1
[M+K]+	186.08909	136.6
[M-H]-	146.11865	132.2
[M+Na-2H]-	168.10060	135.7
[M]+	147.12538	133.5
[M]-	147.12648	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe