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

1
Patents

256.1212 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 160.1
[M+Na]+ 279.11042 167.1
[M-H]- 255.11392 163.1
[M+NH4]+ 274.15502 173.3
[M+K]+ 295.08436 161.8
[M+H-H2O]+ 239.11846 145.2
[M+HCOO]- 301.11940 175.0
[M+CH3COO]- 315.13505 203.3
[M+Na-2H]- 277.09587 162.4
[M]+ 256.12065 151.7
[M]- 256.12175 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