CID 23590

4-allyloxy-n-methyl-3,5-dipropylbenzylamine hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₇NO

SMILES

CCCC1=CC(=CC(=C1OCC=C)CCC)CNC

InChI

InChI=1S/C17H27NO/c1-5-8-15-11-14(13-18-4)12-16(9-6-2)17(15)19-10-7-3/h7,11-12,18H,3,5-6,8-10,13H2,1-2,4H3

InChIKey

ABJHTFXLLDUVDR-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-prop-2-enoxy-3,5-dipropylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.20926 Da
Monoisotopic Mass: 4.6
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]+	262.216536	165.4
[M+Na]+	284.198478	171.7
[M-H]-	260.201984	168.6
[M+NH4]+	279.243083	182.7
[M+K]+	300.172418	167.7
[M+H-H2O]+	244.206520	158.5
[M+HCOO]-	306.207461	188.8
[M+CH3COO]-	320.223111	205.0
[M+Na-2H]-	282.183926	167.5
[M]+	261.20871142	169.4
[M]-	261.20980858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe