CID 14294357

123730-67-6

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C16H20N2O2/c1-2-20-15(19)16(13-17)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3
InChIKey
FPMGPVRBKDTWFD-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

272.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 163.9
[M+Na]+ 295.141688 171.3
[M-H]- 271.145194 167.2
[M+NH4]+ 290.186293 178.5
[M+K]+ 311.115628 166.1
[M+H-H2O]+ 255.149730 149.5
[M+HCOO]- 317.150671 178.6
[M+CH3COO]- 331.166321 207.5
[M+Na-2H]- 293.127136 167.0
[M]+ 272.15192142 157.1
[M]- 272.15301858 157.1
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

patents stripe