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 183.2
[M+Na]+ 354.20397 184.2
[M-H]- 330.20747 188.3
[M+NH4]+ 349.24857 197.4
[M+K]+ 370.17791 180.9
[M+H-H2O]+ 314.21201 174.4
[M+HCOO]- 376.21295 196.4
[M+CH3COO]- 390.22860 204.6
[M+Na-2H]- 352.18942 180.4
[M]+ 331.21420 176.9
[M]- 331.21530 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.