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

2
Annotation Hits: 1
References: 1377
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]+	206.190316	151.0
[M+Na]+	228.172258	156.4
[M-H]-	204.175764	153.4
[M+NH4]+	223.216863	169.9
[M+K]+	244.146198	152.9
[M+H-H2O]+	188.180300	144.5
[M+HCOO]-	250.181241	174.4
[M+CH3COO]-	264.196891	191.8
[M+Na-2H]-	226.157706	155.1
[M]+	205.18249142	151.4
[M]-	205.18358858	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe