CID 376688

Nsc657731

Structural Information

Molecular Formula
C4H3NO6
SMILES
C(=O)C(=O)C(C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C4H3NO6/c6-1-2(7)3(4(8)9)5(10)11/h1,3H,(H,8,9)
InChIKey
OSTZYHKOGPCDPH-UHFFFAOYSA-N
Compound name
2-nitro-3,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.99603 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.00331 124.9
[M+Na]+ 183.98525 131.7
[M-H]- 159.98875 124.3
[M+NH4]+ 179.02985 143.6
[M+K]+ 199.95919 128.6
[M+H-H2O]+ 143.99329 125.1
[M+HCOO]- 205.99423 147.8
[M+CH3COO]- 220.00988 166.7
[M+Na-2H]- 181.97070 130.2
[M]+ 160.99548 124.0
[M]- 160.99658 124.0
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

No patent data available for this compound.