CID 10979345

Ar-nonyldiphenylamine

Structural Information

Molecular Formula

C₂₁H₂₉N

SMILES

CCCCCCCCCC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C21H29N/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)22-20-13-10-8-11-14-20/h8,10-11,13-18,22H,2-7,9,12H2,1H3

InChIKey

DSGJTSGIIUQSCS-UHFFFAOYSA-N

Compound name

4-nonyl-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 295.23 Da
Monoisotopic Mass: 7.8
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]+	296.237276	175.2
[M+Na]+	318.219218	178.8
[M-H]-	294.222724	180.3
[M+NH4]+	313.263823	190.0
[M+K]+	334.193158	173.1
[M+H-H2O]+	278.227260	166.3
[M+HCOO]-	340.228201	198.2
[M+CH3COO]-	354.243851	209.1
[M+Na-2H]-	316.204666	179.1
[M]+	295.22945142	176.3
[M]-	295.23054858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe