CID 3052844

Cyclopentanecarboxylic acid, 1-(o-tolyl)-, 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2C
InChI
InChI=1S/C19H29NO2/c1-4-20(5-2)14-15-22-18(21)19(12-8-9-13-19)17-11-7-6-10-16(17)3/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3
InChIKey
QVCSEIQYEYGYEU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-(2-methylphenyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.9
[M+Na]+ 326.20904 186.1
[M+NH4]+ 321.25364 185.9
[M+K]+ 342.18298 179.0
[M-H]- 302.21254 180.6
[M+Na-2H]- 324.19449 183.5
[M]+ 303.21927 179.2
[M]- 303.22037 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.