CID 84713

14933-78-9

Structural Information

Molecular Formula
C6H4N2O5
SMILES
C1=C[N+](=C(C=C1[N+](=O)[O-])C(=O)O)[O-]
InChI
InChI=1S/C6H4N2O5/c9-6(10)5-3-4(8(12)13)1-2-7(5)11/h1-3H,(H,9,10)
InChIKey
KKYQRQZYRFVFTG-UHFFFAOYSA-N
Compound name
4-nitro-1-oxidopyridin-1-ium-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.01202 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.019296 134.2
[M+Na]+ 207.001238 141.8
[M-H]- 183.004744 134.7
[M+NH4]+ 202.045843 149.6
[M+K]+ 222.975178 131.7
[M+H-H2O]+ 167.009280 137.5
[M+HCOO]- 229.010221 156.3
[M+CH3COO]- 243.025871 163.2
[M+Na-2H]- 204.986686 143.4
[M]+ 184.01147142 130.1
[M]- 184.01256858 130.1
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