CID 79262

4-diethylaminobutyronitrile

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CCN(CC)CCCC#N

InChI

InChI=1S/C8H16N2/c1-3-10(4-2)8-6-5-7-9/h3-6,8H2,1-2H3

InChIKey

NUVVGLXJJPTXRJ-UHFFFAOYSA-N

Compound name

4-(diethylamino)butanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 140.13135 Da
Monoisotopic Mass: 1.0
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]+	141.13863	130.1
[M+Na]+	163.12057	137.7
[M-H]-	139.12407	131.9
[M+NH4]+	158.16517	150.1
[M+K]+	179.09451	138.0
[M+H-H2O]+	123.12861	118.3
[M+HCOO]-	185.12955	151.2
[M+CH3COO]-	199.14520	195.1
[M+Na-2H]-	161.10602	135.7
[M]+	140.13080	127.5
[M]-	140.13190	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe