CID 584493

N-(2-octyl)-p-phenylenediamine

Structural Information

Molecular Formula

C₁₄H₂₄N₂

SMILES

CCCCCCC(C)NC1=CC=C(C=C1)N

InChI

InChI=1S/C14H24N2/c1-3-4-5-6-7-12(2)16-14-10-8-13(15)9-11-14/h8-12,16H,3-7,15H2,1-2H3

InChIKey

ZEZSYLKJRJYGEQ-UHFFFAOYSA-N

Compound name

4-N-octan-2-ylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 456
Patents: 220.19395 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]+	221.20123	155.4
[M+Na]+	243.18317	165.5
[M+NH4]+	238.22777	163.5
[M+K]+	259.15711	158.2
[M-H]-	219.18667	158.8
[M+Na-2H]-	241.16862	161.1
[M]+	220.19340	157.6
[M]-	220.19450	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe