CID 59614

Acetic acid, 2-(1-hydroxycyclopentyl)-2-phenyl-, 2-piperidinoethyl ester, hydrochloride

Structural Information

Molecular Formula
C20H29NO3
SMILES
C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3(CCCC3)O
InChI
InChI=1S/C20H29NO3/c22-19(24-16-15-21-13-7-2-8-14-21)18(17-9-3-1-4-10-17)20(23)11-5-6-12-20/h1,3-4,9-10,18,23H,2,5-8,11-16H2
InChIKey
RZYRCRNNLDPHAI-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 183.6
[M+Na]+ 354.203968 183.6
[M-H]- 330.207474 188.2
[M+NH4]+ 349.248573 197.4
[M+K]+ 370.177908 180.3
[M+H-H2O]+ 314.212010 174.5
[M+HCOO]- 376.212951 196.8
[M+CH3COO]- 390.228601 203.4
[M+Na-2H]- 352.189416 181.4
[M]+ 331.21420142 176.8
[M]- 331.21529858 176.8
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.