CID 142170

37529-29-6

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: 392
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	155.6
[M+Na]+	242.18792	160.6
[M-H]-	218.19142	157.8
[M+NH4]+	237.23252	173.9
[M+K]+	258.16186	156.7
[M+H-H2O]+	202.19596	148.8
[M+HCOO]-	264.19690	178.6
[M+CH3COO]-	278.21255	194.8
[M+Na-2H]-	240.17337	159.1
[M]+	219.19815	156.3
[M]-	219.19925	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe