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-nitropyridin-3-yl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

221.08005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 146.0
[M+Na]+ 244.06927 151.8
[M-H]- 220.07277 149.8
[M+NH4]+ 239.11387 160.3
[M+K]+ 260.04321 145.4
[M+H-H2O]+ 204.07731 141.9
[M+HCOO]- 266.07825 166.3
[M+CH3COO]- 280.09390 181.2
[M+Na-2H]- 242.05472 153.4
[M]+ 221.07950 140.6
[M]- 221.08060 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