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 123.0
[M+Na]+ 147.05288 131.4
[M-H]- 123.05638 123.5
[M+NH4]+ 142.09748 141.1
[M+K]+ 163.02682 129.0
[M+H-H2O]+ 107.06092 110.9
[M+HCOO]- 169.06186 138.8
[M+CH3COO]- 183.07751 180.5
[M+Na-2H]- 145.03833 128.6
[M]+ 124.06311 112.9
[M]- 124.06421 112.9
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