CID 10839

Cyclomethycaine

Structural Information

Molecular Formula

C₂₂H₃₃NO₃

SMILES

CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3

InChI

InChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3

InChIKey

YLRNESBGEGGQBK-UHFFFAOYSA-N

Compound name

3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 4889
Patents: 359.24603 Da
Monoisotopic Mass: 5.2
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]+	360.253306	190.9
[M+Na]+	382.235248	190.5
[M-H]-	358.238754	196.2
[M+NH4]+	377.279853	200.8
[M+K]+	398.209188	186.9
[M+H-H2O]+	342.243290	179.9
[M+HCOO]-	404.244231	203.5
[M+CH3COO]-	418.259881	214.4
[M+Na-2H]-	380.220696	188.4
[M]+	359.24548142	185.3
[M]-	359.24657858	185.3

Literature stripe

literature stripe

Patent stripe

patents stripe