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]+ 137.070936 115.3
[M+Na]+ 159.052878 122.0
[M-H]- 135.056384 118.4
[M+NH4]+ 154.097483 123.2
[M+K]+ 175.026818 127.0
[M+H-H2O]+ 119.060920 97.4
[M+HCOO]- 181.061861 129.5
[M+CH3COO]- 195.077511 194.9
[M+Na-2H]- 157.038326 121.9
[M]+ 136.06311142 123.0
[M]- 136.06420858 123.0
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.