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

6
Annotation Hits: 51
References: 7512
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	163.2
[M+Na]+	284.16210	164.6
[M-H]-	260.16560	168.1
[M+NH4]+	279.20670	178.6
[M+K]+	300.13604	162.3
[M+H-H2O]+	244.17014	155.1
[M+HCOO]-	306.17108	182.2
[M+CH3COO]-	320.18673	198.2
[M+Na-2H]-	282.14755	165.1
[M]+	261.17233	158.7
[M]-	261.17343	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe