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

30
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 121.2
[M+Na]+ 147.05288 130.0
[M-H]- 123.05638 122.9
[M+NH4]+ 142.09748 139.9
[M+K]+ 163.02682 128.3
[M+H-H2O]+ 107.06092 108.8
[M+HCOO]- 169.06186 138.3
[M+CH3COO]- 183.07751 182.9
[M+Na-2H]- 145.03833 127.4
[M]+ 124.06311 112.8
[M]- 124.06421 112.8
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