CID 3063725

101564-16-3

Structural Information

Molecular Formula
C20H29NO2
SMILES
CCN1CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H29NO2/c1-2-21-14-13-18(15-21)23-20(22)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-19H,2,4,7-8,11-15H2,1H3
InChIKey
KXVBKEKLWVFNEG-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl) 2-cyclohexyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 180.3
[M+Na]+ 338.20904 189.9
[M+NH4]+ 333.25364 188.1
[M+K]+ 354.18298 184.6
[M-H]- 314.21254 184.7
[M+Na-2H]- 336.19449 185.8
[M]+ 315.21927 182.7
[M]- 315.22037 182.7
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.