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

12
Patents

272.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 163.9
[M+Na]+ 295.14169 171.3
[M-H]- 271.14519 167.2
[M+NH4]+ 290.18629 178.5
[M+K]+ 311.11563 166.1
[M+H-H2O]+ 255.14973 149.5
[M+HCOO]- 317.15067 178.6
[M+CH3COO]- 331.16632 207.5
[M+Na-2H]- 293.12714 167.0
[M]+ 272.15192 157.1
[M]- 272.15302 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