CID 66545215

Benzyl 4-(cyanomethylidene)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1CN(CCC1=CC#N)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O2/c16-9-6-13-7-10-17(11-8-13)15(18)19-12-14-4-2-1-3-5-14/h1-6H,7-8,10-12H2
InChIKey
FTVWOQKTVKETOR-UHFFFAOYSA-N
Compound name
benzyl 4-(cyanomethylidene)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.1212 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 160.1
[M+Na]+ 279.110418 167.1
[M-H]- 255.113924 163.1
[M+NH4]+ 274.155023 173.3
[M+K]+ 295.084358 161.8
[M+H-H2O]+ 239.118460 145.2
[M+HCOO]- 301.119401 175.0
[M+CH3COO]- 315.135051 203.3
[M+Na-2H]- 277.095866 162.4
[M]+ 256.12065142 151.7
[M]- 256.12174858 151.7
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