CID 56045

Brn 2726291

Structural Information

Molecular Formula
C8H6N2O4
SMILES
C1=CC(=O)C(=C(C=C1N=O)NC=O)O
InChI
InChI=1S/C8H6N2O4/c11-4-9-6-3-5(10-14)1-2-7(12)8(6)13/h1-4H,(H2,9,11,12,13)
InChIKey
XKWDFEMEVJCNTK-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-6-nitroso-3-oxocyclohepta-1,4,6-trien-1-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03276 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04004 136.0
[M+Na]+ 217.02198 144.8
[M+NH4]+ 212.06658 141.4
[M+K]+ 232.99592 142.2
[M-H]- 193.02548 136.8
[M+Na-2H]- 215.00743 141.3
[M]+ 194.03221 137.1
[M]- 194.03331 137.1
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.