CID 56045

Formamide, n-(6-hydroxy-3-nitroso-7-oxo-1,3,5-cycloheptatrien-1-yl)-

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]+ 195.040036 132.7
[M+Na]+ 217.021978 139.9
[M-H]- 193.025484 138.6
[M+NH4]+ 212.066583 150.5
[M+K]+ 232.995918 144.5
[M+H-H2O]+ 177.030020 126.9
[M+HCOO]- 239.030961 159.8
[M+CH3COO]- 253.046611 188.8
[M+Na-2H]- 215.007426 139.5
[M]+ 194.03221142 132.2
[M]- 194.03330858 132.2
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.