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 179.9
[M+Na]+ 338.20904 180.3
[M-H]- 314.21254 185.9
[M+NH4]+ 333.25364 193.4
[M+K]+ 354.18298 176.9
[M+H-H2O]+ 298.21708 170.3
[M+HCOO]- 360.21802 194.3
[M+CH3COO]- 374.23367 205.5
[M+Na-2H]- 336.19449 176.2
[M]+ 315.21927 173.6
[M]- 315.22037 173.6
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.