CID 82517

10287-54-4

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C13H19NO2/c1-4-14(5-2)12-9-7-11(8-10-12)13(15)16-6-3/h7-10H,4-6H2,1-3H3

InChIKey

XPKFLEVLLPKCIW-UHFFFAOYSA-N

Compound name

ethyl 4-(diethylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2114
Patents: 221.14159 Da
Monoisotopic Mass: 3.7
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]+	222.14887	151.7
[M+Na]+	244.13081	163.0
[M+NH4]+	239.17541	159.5
[M+K]+	260.10475	156.8
[M-H]-	220.13431	154.1
[M+Na-2H]-	242.11626	157.8
[M]+	221.14104	153.9
[M]-	221.14214	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe