CID 3571324

2-(decyloxy)-aniline

Structural Information

Molecular Formula

C₁₆H₂₇NO

SMILES

CCCCCCCCCCOC1=CC=CC=C1N

InChI

InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17/h9-10,12-13H,2-8,11,14,17H2,1H3

InChIKey

XYXQICWOBHAZQD-UHFFFAOYSA-N

Compound name

2-decoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 249.20926 Da
Monoisotopic Mass: 5.7
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]+	250.216536	163.5
[M+Na]+	272.198478	167.9
[M-H]-	248.201984	165.4
[M+NH4]+	267.243083	180.4
[M+K]+	288.172418	164.3
[M+H-H2O]+	232.206520	156.1
[M+HCOO]-	294.207461	186.3
[M+CH3COO]-	308.223111	199.8
[M+Na-2H]-	270.183926	166.4
[M]+	249.20871142	166.0
[M]-	249.20980858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe