CID 3064000

101931-93-5

Structural Information

Molecular Formula
C19H27NO3
SMILES
CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O
InChI
InChI=1S/C19H27NO3/c1-20-13-9-16(10-14-20)23-18(21)17(15-7-3-2-4-8-15)19(22)11-5-6-12-19/h2-4,7-8,16-17,22H,5-6,9-14H2,1H3
InChIKey
ZENVFUSOUSLURJ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 179.1
[M+Na]+ 340.18832 187.9
[M+NH4]+ 335.23292 187.6
[M+K]+ 356.16226 182.1
[M-H]- 316.19182 182.5
[M+Na-2H]- 338.17377 185.4
[M]+ 317.19855 181.1
[M]- 317.19965 181.1
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.