CID 142170

4-nonylaniline

Structural Information

Molecular Formula

C₁₅H₂₅N

SMILES

CCCCCCCCCC1=CC=C(C=C1)N

InChI

InChI=1S/C15H25N/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13H,2-9,16H2,1H3

InChIKey

FDECURPHVMNAKO-UHFFFAOYSA-N

Compound name

4-nonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 302
Patents: 219.1987 Da
Monoisotopic Mass: 5.6
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]+	220.20598	155.4
[M+Na]+	242.18792	167.0
[M+NH4]+	237.23252	164.0
[M+K]+	258.16186	158.2
[M-H]-	218.19142	158.7
[M+Na-2H]-	240.17337	161.6
[M]+	219.19815	157.9
[M]-	219.19925	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe