CID 17003

2409-35-0

Structural Information

Molecular Formula

C₁₅H₂₃NO₄

SMILES

CCN(CC)C(C)C(=O)OC1=C(C=CC=C1OC)OC

InChI

InChI=1S/C15H23NO4/c1-6-16(7-2)11(3)15(17)20-14-12(18-4)9-8-10-13(14)19-5/h8-11H,6-7H2,1-5H3

InChIKey

FXFFNSVNNIYUDJ-UHFFFAOYSA-N

Compound name

(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 281.16272 Da
Monoisotopic Mass: 2.8
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]+	282.17000	165.8
[M+Na]+	304.15194	175.7
[M+NH4]+	299.19654	171.9
[M+K]+	320.12588	171.2
[M-H]-	280.15544	166.9
[M+Na-2H]-	302.13739	169.9
[M]+	281.16217	167.3
[M]-	281.16327	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe