CID 58787

101710-85-4

Structural Information

Molecular Formula
C20H29NO3
SMILES
CN1CCCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H29NO3/c1-21-14-8-7-13-18(21)15-24-19(22)20(23,17-11-5-6-12-17)16-9-3-2-4-10-16/h2-4,9-10,17-18,23H,5-8,11-15H2,1H3
InChIKey
SZXHDGIBORJREO-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.