CID 214122

27722-05-0

Structural Information

Molecular Formula

C₁₉H₂₉NO₂

SMILES

CC(C1CCCCC1)(C2=CC=CC=C2)C(=O)OCCN(C)C

InChI

InChI=1S/C19H29NO2/c1-19(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18(21)22-15-14-20(2)3/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3

InChIKey

ZIHCFXCGVHDJNB-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-cyclohexyl-2-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.21982 Da
Monoisotopic Mass: 4.9
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]+	304.227096	175.7
[M+Na]+	326.209038	176.6
[M-H]-	302.212544	181.6
[M+NH4]+	321.253643	190.2
[M+K]+	342.182978	175.0
[M+H-H2O]+	286.217080	167.3
[M+HCOO]-	348.218021	193.6
[M+CH3COO]-	362.233671	210.1
[M+Na-2H]-	324.194486	177.3
[M]+	303.21927142	173.7
[M]-	303.22036858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.