CID 11332793

1-(pyridin-4-yl)piperidin-4-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CN(CCC1=O)C2=CC=NC=C2
InChI
InChI=1S/C10H12N2O/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6H,3-4,7-8H2
InChIKey
MAXMUBIIZUKOJF-UHFFFAOYSA-N
Compound name
1-pyridin-4-ylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

176.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 137.6
[M+Na]+ 199.08418 144.1
[M-H]- 175.08768 140.9
[M+NH4]+ 194.12878 154.6
[M+K]+ 215.05812 141.4
[M+H-H2O]+ 159.09222 129.1
[M+HCOO]- 221.09316 156.8
[M+CH3COO]- 235.10881 178.7
[M+Na-2H]- 197.06963 144.1
[M]+ 176.09441 133.1
[M]- 176.09551 133.1
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

patents stripe