CID 10767

Amylocaine

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3

InChIKey

FDMBBCOBEAVDAO-UHFFFAOYSA-N

Compound name

[1-(dimethylamino)-2-methylbutan-2-yl] benzoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 40
References: 3239
Patents: 235.15723 Da
Monoisotopic Mass: 3.0
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]+	236.16451	156.2
[M+Na]+	258.14645	161.3
[M-H]-	234.14995	160.8
[M+NH4]+	253.19105	174.4
[M+K]+	274.12039	160.9
[M+H-H2O]+	218.15449	149.6
[M+HCOO]-	280.15543	178.8
[M+CH3COO]-	294.17108	198.4
[M+Na-2H]-	256.13190	160.8
[M]+	235.15668	159.5
[M]-	235.15778	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe