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

99
Patents

182.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 138.5
[M+Na]+ 205.05836 148.0
[M-H]- 181.06186 140.8
[M+NH4]+ 200.10296 155.8
[M+K]+ 221.03230 137.6
[M+H-H2O]+ 165.06640 142.1
[M+HCOO]- 227.06734 161.8
[M+CH3COO]- 241.08299 170.8
[M+Na-2H]- 203.04381 146.7
[M]+ 182.06859 136.5
[M]- 182.06969 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