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 136.3
[M+Na]+ 203.07909 143.3
[M-H]- 179.08259 137.7
[M+NH4]+ 198.12369 149.5
[M+K]+ 219.05303 143.1
[M+H-H2O]+ 163.08713 120.6
[M+HCOO]- 225.08807 149.5
[M+CH3COO]- 239.10372 190.1
[M+Na-2H]- 201.06454 138.9
[M]+ 180.08932 134.4
[M]- 180.09042 134.4
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.