CID 138236

N,n-dihexylaniline

Structural Information

Molecular Formula

C₁₈H₃₁N

SMILES

CCCCCCN(CCCCCC)C1=CC=CC=C1

InChI

InChI=1S/C18H31N/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3

InChIKey

DGYRVXQIGUEFFK-UHFFFAOYSA-N

Compound name

N,N-dihexylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2851
Patents: 261.24564 Da
Monoisotopic Mass: 6.7
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]+	262.25292	169.2
[M+Na]+	284.23486	180.3
[M+NH4]+	279.27946	177.7
[M+K]+	300.20880	170.9
[M-H]-	260.23836	172.9
[M+Na-2H]-	282.22031	175.5
[M]+	261.24509	171.8
[M]-	261.24619	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe