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 178.8
[M+Na]+ 340.18832 180.2
[M-H]- 316.19182 184.1
[M+NH4]+ 335.23292 193.6
[M+K]+ 356.16226 177.2
[M+H-H2O]+ 300.19636 170.3
[M+HCOO]- 362.19730 192.4
[M+CH3COO]- 376.21295 201.7
[M+Na-2H]- 338.17377 176.5
[M]+ 317.19855 172.2
[M]- 317.19965 172.2
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.