CID 90479721

1-methyl-4-piperidyl phenyl(1-cyclopentenyl)glycolate

Structural Information

Molecular Formula
C19H25NO3
SMILES
CN1CCC(CC1)OC(=O)C(C2=CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H25NO3/c1-20-13-11-17(12-14-20)23-18(21)19(22,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-9,17,22H,5-6,10-14H2,1H3
InChIKey
IASMQVFEPVIFDD-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.6
[M+Na]+ 338.17266 186.2
[M+NH4]+ 333.21726 183.6
[M+K]+ 354.14660 182.5
[M-H]- 314.17616 179.8
[M+Na-2H]- 336.15811 182.7
[M]+ 315.18289 178.7
[M]- 315.18399 178.7
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.