CID 142698

4-n-nonyloxyaniline

Structural Information

Molecular Formula

C₁₅H₂₅NO

SMILES

CCCCCCCCCOC1=CC=C(C=C1)N

InChI

InChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-13-17-15-11-9-14(16)10-12-15/h9-12H,2-8,13,16H2,1H3

InChIKey

JQLBBFVOAHUASD-UHFFFAOYSA-N

Compound name

4-nonoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 235.19362 Da
Monoisotopic Mass: 5.3
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]+	236.20090	158.9
[M+Na]+	258.18284	163.8
[M-H]-	234.18634	161.1
[M+NH4]+	253.22744	176.4
[M+K]+	274.15678	160.5
[M+H-H2O]+	218.19088	151.8
[M+HCOO]-	280.19182	182.1
[M+CH3COO]-	294.20747	196.8
[M+Na-2H]-	256.16829	162.4
[M]+	235.19307	161.0
[M]-	235.19417	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe