CID 129968986

4-oxopiperidine-1-carbonitrile

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CN(CCC1=O)C#N
InChI
InChI=1S/C6H8N2O/c7-5-8-3-1-6(9)2-4-8/h1-4H2
InChIKey
DHRPDYFYOQFQQE-UHFFFAOYSA-N
Compound name
4-oxopiperidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

124.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 127.8
[M+Na]+ 147.05288 138.5
[M+NH4]+ 142.09748 132.7
[M+K]+ 163.02682 129.8
[M-H]- 123.05638 121.7
[M+Na-2H]- 145.03833 130.6
[M]+ 124.06311 126.5
[M]- 124.06421 126.5
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