CID 125424832

2-oxo-1-azaspiro[3.3]heptane-6-carbonitrile

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1C(CC12CC(=O)N2)C#N
InChI
InChI=1S/C7H8N2O/c8-4-5-1-7(2-5)3-6(10)9-7/h5H,1-3H2,(H,9,10)
InChIKey
CPLRIVBKLJJPGP-UHFFFAOYSA-N
Compound name
2-oxo-1-azaspiro[3.3]heptane-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 136.0
[M+Na]+ 159.05288 138.0
[M+NH4]+ 154.09748 135.0
[M+K]+ 175.02682 132.5
[M-H]- 135.05638 126.1
[M+Na-2H]- 157.03833 134.9
[M]+ 136.06311 130.8
[M]- 136.06421 130.8
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

No patent data available for this compound.