CID 19002

3483-96-3

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H21NO3/c1-4-15(5-2)10-11-18-13-8-6-12(7-9-13)14(16)17-3/h6-9H,4-5,10-11H2,1-3H3

InChIKey

OCHYTARYRUQPFW-UHFFFAOYSA-N

Compound name

methyl 4-[2-(diethylamino)ethoxy]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 251.15215 Da
Monoisotopic Mass: 3.0
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]+	252.15943	159.1
[M+Na]+	274.14137	169.6
[M+NH4]+	269.18597	166.1
[M+K]+	290.11531	163.8
[M-H]-	250.14487	160.9
[M+Na-2H]-	272.12682	164.4
[M]+	251.15160	160.9
[M]-	251.15270	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe