CID 178244288

6-diazo-2,5-dioxohexanoic acid

Structural Information

Molecular Formula
C6H6N2O4
SMILES
C(CC(=O)C(=O)O)C(=O)C=[N+]=[N-]
InChI
InChI=1S/C6H6N2O4/c7-8-3-4(9)1-2-5(10)6(11)12/h3H,1-2H2,(H,11,12)
InChIKey
SOXVLGCRYQAHNZ-UHFFFAOYSA-N
Compound name
6-diazo-2,5-dioxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.03276 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.040036 132.3
[M+Na]+ 193.021978 138.5
[M-H]- 169.025484 132.7
[M+NH4]+ 188.066583 151.3
[M+K]+ 208.995918 133.6
[M+H-H2O]+ 153.030020 131.8
[M+HCOO]- 215.030961 157.6
[M+CH3COO]- 229.046611 173.7
[M+Na-2H]- 191.007426 138.1
[M]+ 170.03221142 130.1
[M]- 170.03330858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.