CID 3782180

4-oxopiperidine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CNCC(C1=O)C#N
InChI
InChI=1S/C6H8N2O/c7-3-5-4-8-2-1-6(5)9/h5,8H,1-2,4H2
InChIKey
OSRLEVNOSVHSQN-UHFFFAOYSA-N
Compound name
4-oxopiperidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

124.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 128.3
[M+Na]+ 147.05288 138.6
[M+NH4]+ 142.09748 132.9
[M+K]+ 163.02682 130.1
[M-H]- 123.05638 121.7
[M+Na-2H]- 145.03833 130.5
[M]+ 124.06311 126.8
[M]- 124.06421 126.8
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