CID 52348

5417-24-3

Structural Information

Molecular Formula

C₁₂H₂₄N₂

SMILES

CCCCN(CCCC)CCCC#N

InChI

InChI=1S/C12H24N2/c1-3-5-10-14(11-6-4-2)12-8-7-9-13/h3-8,10-12H2,1-2H3

InChIKey

VQPZLDJVFUXXGU-UHFFFAOYSA-N

Compound name

4-(dibutylamino)butanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 196.19395 Da
Monoisotopic Mass: 2.8
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]+	197.20123	146.0
[M+Na]+	219.18317	152.1
[M-H]-	195.18667	147.1
[M+NH4]+	214.22777	164.0
[M+K]+	235.15711	151.4
[M+H-H2O]+	179.19121	133.4
[M+HCOO]-	241.19215	165.9
[M+CH3COO]-	255.20780	205.9
[M+Na-2H]-	217.16862	149.7
[M]+	196.19340	144.7
[M]-	196.19450	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe