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

31
Patents

124.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.2
[M+Na]+ 147.052878 130.0
[M-H]- 123.056384 122.9
[M+NH4]+ 142.097483 139.9
[M+K]+ 163.026818 128.3
[M+H-H2O]+ 107.060920 108.8
[M+HCOO]- 169.061861 138.3
[M+CH3COO]- 183.077511 182.9
[M+Na-2H]- 145.038326 127.4
[M]+ 124.06311142 112.8
[M]- 124.06420858 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