CID 132349303

2138564-74-4

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1C(CC12CNCC2C#N)C(=O)O
InChI
InChI=1S/C9H12N2O2/c10-3-7-4-11-5-9(7)1-6(2-9)8(12)13/h6-7,11H,1-2,4-5H2,(H,12,13)
InChIKey
BLMGNDGADNHVHS-UHFFFAOYSA-N
Compound name
8-cyano-6-azaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 142.6
[M+Na]+ 203.07909 146.4
[M+NH4]+ 198.12369 143.9
[M+K]+ 219.05303 141.1
[M-H]- 179.08259 132.8
[M+Na-2H]- 201.06454 141.5
[M]+ 180.08932 138.3
[M]- 180.09042 138.3
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.