CID 97158

5-nitro-2-piperidinopyridine

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O2/c14-13(15)9-4-5-10(11-8-9)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
InChIKey
RQPFYHQIEVITPC-UHFFFAOYSA-N
Compound name
5-nitro-2-piperidin-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

99
Patents

207.10077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 143.9
[M+Na]+ 230.08999 148.6
[M-H]- 206.09349 147.2
[M+NH4]+ 225.13459 158.6
[M+K]+ 246.06393 142.3
[M+H-H2O]+ 190.09803 139.7
[M+HCOO]- 252.09897 163.8
[M+CH3COO]- 266.11462 179.0
[M+Na-2H]- 228.07544 151.8
[M]+ 207.10022 137.4
[M]- 207.10132 137.4
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