CID 28411898

1-(6-nitropyridin-3-yl)piperidin-4-one

Structural Information

Molecular Formula
C10H11N3O3
SMILES
C1CN(CCC1=O)C2=CN=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O3/c14-9-3-5-12(6-4-9)8-1-2-10(11-7-8)13(15)16/h1-2,7H,3-6H2
InChIKey
LNXHZQNFRZOOAW-UHFFFAOYSA-N
Compound name
1-(6-nitro-3-pyridinyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

221.08005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.087326 146.0
[M+Na]+ 244.069268 151.8
[M-H]- 220.072774 149.8
[M+NH4]+ 239.113873 160.3
[M+K]+ 260.043208 145.4
[M+H-H2O]+ 204.077310 141.9
[M+HCOO]- 266.078251 166.3
[M+CH3COO]- 280.093901 181.2
[M+Na-2H]- 242.054716 153.4
[M]+ 221.07950142 140.6
[M]- 221.08059858 140.6
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