CID 19060

Ta 109

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCC2CCCO2)C3=CC=CC=C3
InChI
InChI=1S/C20H29NO3/c1-2-23-19(22)20(17-7-4-3-5-8-17)11-14-21(15-12-20)13-10-18-9-6-16-24-18/h3-5,7-8,18H,2,6,9-16H2,1H3
InChIKey
DVPQIMAQRDKTQT-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(oxolan-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 182.4
[M+Na]+ 354.20397 184.3
[M-H]- 330.20747 189.4
[M+NH4]+ 349.24857 196.2
[M+K]+ 370.17791 182.3
[M+H-H2O]+ 314.21201 173.3
[M+HCOO]- 376.21295 197.3
[M+CH3COO]- 390.22860 206.3
[M+Na-2H]- 352.18942 181.8
[M]+ 331.21420 179.1
[M]- 331.21530 179.1
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.