CID 79306

3-(diethylamino)propanenitrile

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CCN(CC)CCC#N

InChI

InChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3

InChIKey

LFFKXGFSDGRFQA-UHFFFAOYSA-N

Compound name

3-(diethylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1127
Patents: 126.1157 Da
Monoisotopic Mass: 0.7
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]+	127.122976	126.1
[M+Na]+	149.104918	134.1
[M-H]-	125.108424	128.1
[M+NH4]+	144.149523	146.6
[M+K]+	165.078858	134.6
[M+H-H2O]+	109.112960	114.5
[M+HCOO]-	171.113901	147.5
[M+CH3COO]-	185.129551	192.3
[M+Na-2H]-	147.090366	132.2
[M]+	126.11515142	123.2
[M]-	126.11624858	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe