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]+ 332.22203 183.5
[M+Na]+ 354.20397 192.0
[M+NH4]+ 349.24857 191.7
[M+K]+ 370.17791 186.0
[M-H]- 330.20747 186.8
[M+Na-2H]- 352.18942 189.5
[M]+ 331.21420 185.4
[M]- 331.21530 185.4
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.