CID 18348391

1-(pyridin-2-yl)piperidin-4-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CN(CCC1=O)C2=CC=CC=N2
InChI
InChI=1S/C10H12N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6H,4-5,7-8H2
InChIKey
CSNJUQMJDHNKHI-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

176.09496 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe