CID 148223

37699-43-7

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=C(C=C[N+](=C1C)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3
InChIKey
CFMTVTYBZMKULI-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

261
Patents

168.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 134.4
[M+Na]+ 191.042718 143.4
[M-H]- 167.046224 136.5
[M+NH4]+ 186.087323 151.9
[M+K]+ 207.016658 133.2
[M+H-H2O]+ 151.050760 137.9
[M+HCOO]- 213.051701 158.1
[M+CH3COO]- 227.067351 166.7
[M+Na-2H]- 189.028166 143.7
[M]+ 168.05295142 131.7
[M]- 168.05404858 131.7
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