CID 11217611

4-nitro-2,3,5-trimethylpyridine, 1-oxide

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=C[N+](=C(C(=C1[N+](=O)[O-])C)C)[O-]
InChI
InChI=1S/C8H10N2O3/c1-5-4-9(11)7(3)6(2)8(5)10(12)13/h4H,1-3H3
InChIKey
YMBLTOGTYNFTRX-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-4-nitro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

182.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 138.5
[M+Na]+ 205.058358 148.0
[M-H]- 181.061864 140.8
[M+NH4]+ 200.102963 155.8
[M+K]+ 221.032298 137.6
[M+H-H2O]+ 165.066400 142.1
[M+HCOO]- 227.067341 161.8
[M+CH3COO]- 241.082991 170.8
[M+Na-2H]- 203.043806 146.7
[M]+ 182.06859142 136.5
[M]- 182.06968858 136.5
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