CID 122163430

3-(pyridin-4-yl)-2-azaspiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CC2(C1)C(NC2=O)C3=CC=NC=C3
InChI
InChI=1S/C11H12N2O/c14-10-11(4-1-5-11)9(13-10)8-2-6-12-7-3-8/h2-3,6-7,9H,1,4-5H2,(H,13,14)
InChIKey
PPYYAXKZQCWDKS-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-2-azaspiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 141.1
[M+Na]+ 211.08418 144.6
[M+NH4]+ 206.12878 142.7
[M+K]+ 227.05812 140.9
[M-H]- 187.08768 138.7
[M+Na-2H]- 209.06963 144.6
[M]+ 188.09441 138.8
[M]- 188.09551 138.8
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.