CID 207401

Brn 3385598

Structural Information

Molecular Formula

C₁₉H₂₉NO₂

SMILES

CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC(=C2)C

InChI

InChI=1S/C19H29NO2/c1-4-20(5-2)13-14-22-18(21)19(11-6-7-12-19)17-10-8-9-16(3)15-17/h8-10,15H,4-7,11-14H2,1-3H3

InChIKey

FKJYDDAMURZXMI-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 1-(3-methylphenyl)cyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 303.21982 Da
Monoisotopic Mass: 4.3
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	176.9
[M+Na]+	326.209038	180.3
[M-H]-	302.212544	183.8
[M+NH4]+	321.253643	195.7
[M+K]+	342.182978	178.3
[M+H-H2O]+	286.217080	169.5
[M+HCOO]-	348.218021	198.6
[M+CH3COO]-	362.233671	209.9
[M+Na-2H]-	324.194486	176.7
[M]+	303.21927142	178.3
[M]-	303.22036858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe