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]+ 201.10224 143.6
[M+Na]+ 223.08418 152.6
[M-H]- 199.08768 147.4
[M+NH4]+ 218.12878 159.3
[M+K]+ 239.05812 147.6
[M+H-H2O]+ 183.09222 129.6
[M+HCOO]- 245.09316 160.1
[M+CH3COO]- 259.10881 196.2
[M+Na-2H]- 221.06963 148.0
[M]+ 200.09441 134.9
[M]- 200.09551 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