CID 3064003

101952-36-7

Structural Information

Molecular Formula
C20H29NO3
SMILES
CN1CCC(CC1)COC(=O)C(C2=CC=CC=C2)C3(CCCC3)O
InChI
InChI=1S/C20H29NO3/c1-21-13-9-16(10-14-21)15-24-19(22)18(17-7-3-2-4-8-17)20(23)11-5-6-12-20/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3
InChIKey
PAAIBNKRZJMEFA-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl)methyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 183.2
[M+Na]+ 354.203968 184.2
[M-H]- 330.207474 188.3
[M+NH4]+ 349.248573 197.4
[M+K]+ 370.177908 180.9
[M+H-H2O]+ 314.212010 174.4
[M+HCOO]- 376.212951 196.4
[M+CH3COO]- 390.228601 204.6
[M+Na-2H]- 352.189416 180.4
[M]+ 331.21420142 176.9
[M]- 331.21529858 176.9
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.