CID 56566

93148-15-3

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCN(CC)CCOC1=C(C=CC=C1C=O)CC=C

InChI

InChI=1S/C16H23NO2/c1-4-8-14-9-7-10-15(13-18)16(14)19-12-11-17(5-2)6-3/h4,7,9-10,13H,1,5-6,8,11-12H2,2-3H3

InChIKey

VZEZONWRBFJJMZ-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethoxy]-3-prop-2-enylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1348
Patents: 261.17288 Da
Monoisotopic Mass: 3.2
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]+	262.180156	163.1
[M+Na]+	284.162098	169.1
[M-H]-	260.165604	167.5
[M+NH4]+	279.206703	180.5
[M+K]+	300.136038	166.7
[M+H-H2O]+	244.170140	155.7
[M+HCOO]-	306.171081	187.7
[M+CH3COO]-	320.186731	205.4
[M+Na-2H]-	282.147546	165.7
[M]+	261.17233142	168.3
[M]-	261.17342858	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe