CID 11019887

4-(4-oxopiperidin-1-yl)benzonitrile

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CN(CCC1=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C12H12N2O/c13-9-10-1-3-11(4-2-10)14-7-5-12(15)6-8-14/h1-4H,5-8H2
InChIKey
RJWQDPGTDSRETR-UHFFFAOYSA-N
Compound name
4-(4-oxopiperidin-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

200.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 143.6
[M+Na]+ 223.084178 152.6
[M-H]- 199.087684 147.4
[M+NH4]+ 218.128783 159.3
[M+K]+ 239.058118 147.6
[M+H-H2O]+ 183.092220 129.6
[M+HCOO]- 245.093161 160.1
[M+CH3COO]- 259.108811 196.2
[M+Na-2H]- 221.069626 148.0
[M]+ 200.09441142 134.9
[M]- 200.09550858 134.9
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