CID 3064980

Pyridine, 2,6-dimethyl-3-nitro-4-(1-piperidinyl)-, 1-oxide, monohydrochloride

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC1=CC(=C(C(=[N+]1[O-])C)[N+](=O)[O-])N2CCCCC2
InChI
InChI=1S/C12H17N3O3/c1-9-8-11(13-6-4-3-5-7-13)12(15(17)18)10(2)14(9)16/h8H,3-7H2,1-2H3
InChIKey
BRRVYQUPQRZWEW-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-nitro-1-oxido-4-piperidin-1-ylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 160.0
[M+Na]+ 274.11622 165.4
[M-H]- 250.11972 162.7
[M+NH4]+ 269.16082 172.3
[M+K]+ 290.09016 153.7
[M+H-H2O]+ 234.12426 160.7
[M+HCOO]- 296.12520 177.7
[M+CH3COO]- 310.14085 182.2
[M+Na-2H]- 272.10167 166.1
[M]+ 251.12645 152.9
[M]- 251.12755 152.9
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

No patent data available for this compound.