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]+ 195.04004 132.7
[M+Na]+ 217.02198 139.9
[M-H]- 193.02548 138.6
[M+NH4]+ 212.06658 150.5
[M+K]+ 232.99592 144.5
[M+H-H2O]+ 177.03002 126.9
[M+HCOO]- 239.03096 159.8
[M+CH3COO]- 253.04661 188.8
[M+Na-2H]- 215.00743 139.5
[M]+ 194.03221 132.2
[M]- 194.03331 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.