CID 13313086

3-(nonyloxy)propylamine

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

CCCCCCCCCOCCCN

InChI

InChI=1S/C12H27NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-13H2,1H3

InChIKey

ZINQYRQLEDIWQS-UHFFFAOYSA-N

Compound name

3-nonoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 201.20926 Da
Monoisotopic Mass: 3.5
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]+	202.216536	153.5
[M+Na]+	224.198478	157.4
[M-H]-	200.201984	152.1
[M+NH4]+	219.243083	172.4
[M+K]+	240.172418	155.6
[M+H-H2O]+	184.206520	147.4
[M+HCOO]-	246.207461	176.0
[M+CH3COO]-	260.223111	191.5
[M+Na-2H]-	222.183926	156.5
[M]+	201.20871142	156.7
[M]-	201.20980858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe