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]+ 215.11789 147.5
[M+Na]+ 237.09983 156.1
[M-H]- 213.10333 151.1
[M+NH4]+ 232.14443 162.7
[M+K]+ 253.07377 150.9
[M+H-H2O]+ 197.10787 133.3
[M+HCOO]- 259.10881 163.7
[M+CH3COO]- 273.12446 198.9
[M+Na-2H]- 235.08528 151.5
[M]+ 214.11006 139.1
[M]- 214.11116 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