CID 10086

N-ethyl-3-piperidyl phenylcyclopentylglycolate

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCN1CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H29NO3/c1-2-21-14-8-13-18(15-21)24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3
InChIKey
OAWRXBDGRIPUMA-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 182.0
[M+Na]+ 354.203968 182.6
[M-H]- 330.207474 187.0
[M+NH4]+ 349.248573 194.4
[M+K]+ 370.177908 179.1
[M+H-H2O]+ 314.212010 173.3
[M+HCOO]- 376.212951 194.6
[M+CH3COO]- 390.228601 204.7
[M+Na-2H]- 352.189416 180.4
[M]+ 331.21420142 175.6
[M]- 331.21529858 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe