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]+ 189.102236 133.1
[M+Na]+ 211.084178 138.9
[M-H]- 187.087684 137.5
[M+NH4]+ 206.128783 138.6
[M+K]+ 227.058118 141.2
[M+H-H2O]+ 171.092220 117.5
[M+HCOO]- 233.093161 149.1
[M+CH3COO]- 247.108811 191.5
[M+Na-2H]- 209.069626 139.7
[M]+ 188.09441142 146.0
[M]- 188.09550858 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.