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: 1169
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	134.5
[M+Na]+	170.11515	140.2
[M-H]-	146.11865	134.0
[M+NH4]+	165.15975	155.4
[M+K]+	186.08909	140.7
[M+H-H2O]+	130.12319	129.2
[M+HCOO]-	192.12413	157.9
[M+CH3COO]-	206.13978	179.1
[M+Na-2H]-	168.10060	138.9
[M]+	147.12538	136.6
[M]-	147.12648	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe