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: 1293
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]+	127.12298	126.1
[M+Na]+	149.10492	134.1
[M-H]-	125.10842	128.1
[M+NH4]+	144.14952	146.6
[M+K]+	165.07886	134.6
[M+H-H2O]+	109.11296	114.5
[M+HCOO]-	171.11390	147.5
[M+CH3COO]-	185.12955	192.3
[M+Na-2H]-	147.09037	132.2
[M]+	126.11515	123.2
[M]-	126.11625	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe