CID 89692

Dimethylaminoethoxypropionitrile

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CN(C)CCOCCC#N

InChI

InChI=1S/C7H14N2O/c1-9(2)5-7-10-6-3-4-8/h3,5-7H2,1-2H3

InChIKey

MNAXYNVBGBASIG-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)ethoxy]propanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 142.11061 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]+	143.11789	128.2
[M+Na]+	165.09983	136.1
[M-H]-	141.10333	130.1
[M+NH4]+	160.14443	148.1
[M+K]+	181.07377	137.2
[M+H-H2O]+	125.10787	116.4
[M+HCOO]-	187.10881	149.9
[M+CH3COO]-	201.12446	194.1
[M+Na-2H]-	163.08528	134.3
[M]+	142.11006	126.6
[M]-	142.11116	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe