CID 603733

10425-71-5

Structural Information

Molecular Formula
C5H3N3O5
SMILES
C1=C(C(=O)C(=CN1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C5H3N3O5/c9-5-3(7(10)11)1-6-2-4(5)8(12)13/h1-2H,(H,6,9)
InChIKey
PUHTYORYOUQZEB-UHFFFAOYSA-N
Compound name
3,5-dinitro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

976
Patents

185.00726 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.014536 131.3
[M+Na]+ 207.996478 139.0
[M-H]- 183.999984 133.2
[M+NH4]+ 203.041083 146.9
[M+K]+ 223.970418 129.2
[M+H-H2O]+ 168.004520 134.0
[M+HCOO]- 230.005461 156.2
[M+CH3COO]- 244.021111 166.4
[M+Na-2H]- 205.981926 142.0
[M]+ 185.00671142 127.1
[M]- 185.00780858 127.1
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