CID 10921862

4-[(4-oxopiperidin-1-yl)methyl]benzonitrile

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1CN(CCC1=O)CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C13H14N2O/c14-9-11-1-3-12(4-2-11)10-15-7-5-13(16)6-8-15/h1-4H,5-8,10H2
InChIKey
IEQBRFVCIRGZLX-UHFFFAOYSA-N
Compound name
4-[(4-oxopiperidin-1-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

214.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 147.5
[M+Na]+ 237.099828 156.1
[M-H]- 213.103334 151.1
[M+NH4]+ 232.144433 162.7
[M+K]+ 253.073768 150.9
[M+H-H2O]+ 197.107870 133.3
[M+HCOO]- 259.108811 163.7
[M+CH3COO]- 273.124461 198.9
[M+Na-2H]- 235.085276 151.5
[M]+ 214.11006142 139.1
[M]- 214.11115858 139.1
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