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

76
Patents

273.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 166.6
[M+Na]+ 296.162098 171.0
[M-H]- 272.165604 170.7
[M+NH4]+ 291.206703 182.9
[M+K]+ 312.136038 167.6
[M+H-H2O]+ 256.170140 158.4
[M+HCOO]- 318.171081 184.2
[M+CH3COO]- 332.186731 197.9
[M+Na-2H]- 294.147546 169.2
[M]+ 273.17233142 164.4
[M]- 273.17342858 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