CID 21110

5014-25-5

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

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

InChI

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

InChIKey

MDJGIUGPZDSKSV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 251.15215 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]+	252.15943	159.5
[M+Na]+	274.14137	165.0
[M-H]-	250.14487	164.1
[M+NH4]+	269.18597	177.1
[M+K]+	290.11531	164.7
[M+H-H2O]+	234.14941	152.2
[M+HCOO]-	296.15035	183.9
[M+CH3COO]-	310.16600	201.2
[M+Na-2H]-	272.12682	162.6
[M]+	251.15160	165.1
[M]-	251.15270	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe