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 133.1
[M+Na]+ 211.08418 138.9
[M-H]- 187.08768 137.5
[M+NH4]+ 206.12878 138.6
[M+K]+ 227.05812 141.2
[M+H-H2O]+ 171.09222 117.5
[M+HCOO]- 233.09316 149.1
[M+CH3COO]- 247.10881 191.5
[M+Na-2H]- 209.06963 139.7
[M]+ 188.09441 146.0
[M]- 188.09551 146.0
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.