CID 10770

Hexylcaine

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3

InChIKey

DKLKMKYDWHYZTD-UHFFFAOYSA-N

Compound name

1-(cyclohexylamino)propan-2-yl benzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 50
References: 7324
Patents: 261.17288 Da
Monoisotopic Mass: 3.6
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]+	262.18016	164.2
[M+Na]+	284.16210	174.1
[M+NH4]+	279.20670	172.2
[M+K]+	300.13604	167.4
[M-H]-	260.16560	168.2
[M+Na-2H]-	282.14755	170.6
[M]+	261.17233	166.5
[M]-	261.17343	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe