CID 11217611

86604-79-7

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

88
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 140.3
[M+Na]+ 205.05836 156.1
[M+NH4]+ 200.10296 148.4
[M+K]+ 221.03230 154.6
[M-H]- 181.06186 144.2
[M+Na-2H]- 203.04381 145.7
[M]+ 182.06859 143.6
[M]- 182.06969 143.6
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