CID 16915

2372-70-5

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCOC(=O)C1(CCN(CC1)CC=C)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO2/c1-3-12-18-13-10-17(11-14-18,16(19)20-4-2)15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3
InChIKey
YUNKDDDGCRLMAF-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1-prop-2-enylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

273.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.6
[M+Na]+ 296.16210 171.0
[M-H]- 272.16560 170.7
[M+NH4]+ 291.20670 182.9
[M+K]+ 312.13604 167.6
[M+H-H2O]+ 256.17014 158.4
[M+HCOO]- 318.17108 184.2
[M+CH3COO]- 332.18673 197.9
[M+Na-2H]- 294.14755 169.2
[M]+ 273.17233 164.4
[M]- 273.17343 164.4
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

patents stripe