CID 61154

N,n-dibutylaniline

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CCCCN(CCCC)C1=CC=CC=C1

InChI

InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

InChIKey

FZPXKEPZZOEPGX-UHFFFAOYSA-N

Compound name

N,N-dibutylaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 6609
Patents: 205.18304 Da
Monoisotopic Mass: 4.5
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]+	206.19032	151.1
[M+Na]+	228.17226	163.0
[M+NH4]+	223.21686	160.3
[M+K]+	244.14620	154.6
[M-H]-	204.17576	155.0
[M+Na-2H]-	226.15771	158.5
[M]+	205.18249	153.9
[M]-	205.18359	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe