CID 85346

4-octylaniline

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CCCCCCCCC1=CC=C(C=C1)N

InChI

InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3

InChIKey

ORKQJTBYQZITLA-UHFFFAOYSA-N

Compound name

4-octylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1201
Patents: 205.18304 Da
Monoisotopic Mass: 5.0
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]+	206.19032	150.8
[M+Na]+	228.17226	162.6
[M+NH4]+	223.21686	159.6
[M+K]+	244.14620	154.1
[M-H]-	204.17576	154.2
[M+Na-2H]-	226.15771	157.3
[M]+	205.18249	153.4
[M]-	205.18359	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe