CID 12833325

16518-65-3

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCOC(=O)C1=CC(=CC=C1)N(C)C

InChI

InChI=1S/C11H15NO2/c1-4-14-11(13)9-6-5-7-10(8-9)12(2)3/h5-8H,4H2,1-3H3

InChIKey

CQNOGTUXPYIVDM-UHFFFAOYSA-N

Compound name

ethyl 3-(dimethylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 193.11028 Da
Monoisotopic Mass: 2.3
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]+	194.11756	142.3
[M+Na]+	216.09950	149.1
[M-H]-	192.10300	147.5
[M+NH4]+	211.14410	162.3
[M+K]+	232.07344	149.1
[M+H-H2O]+	176.10754	135.8
[M+HCOO]-	238.10848	167.4
[M+CH3COO]-	252.12413	190.2
[M+Na-2H]-	214.08495	147.0
[M]+	193.10973	145.3
[M]-	193.11083	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe