CID 24782

Dimethylprocaine

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3

InChIKey

MXBCQLLLJGRMJI-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 50
Patents: 208.12119 Da
Monoisotopic Mass: 1.3
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]+	209.12847	147.3
[M+Na]+	231.11041	153.2
[M-H]-	207.11391	151.8
[M+NH4]+	226.15501	166.0
[M+K]+	247.08435	152.7
[M+H-H2O]+	191.11845	140.3
[M+HCOO]-	253.11939	172.8
[M+CH3COO]-	267.13504	194.5
[M+Na-2H]-	229.09586	151.2
[M]+	208.12064	148.5
[M]-	208.12174	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe