CID 25127

Ethyl 4-dimethylaminobenzoate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

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

InChIKey

FZUGPQWGEGAKET-UHFFFAOYSA-N

Compound name

ethyl 4-(dimethylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 75
References: 43673
Patents: 193.11028 Da
Monoisotopic Mass: 2.9
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	142.7
[M+Na]+	216.09950	154.4
[M+NH4]+	211.14410	150.8
[M+K]+	232.07344	148.7
[M-H]-	192.10300	145.2
[M+Na-2H]-	214.08495	149.3
[M]+	193.10973	145.0
[M]-	193.11083	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe