CID 246512

Nsc59667

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1=CC2C3C(C1O2)C(=O)NNC3=O
InChI
InChI=1S/C8H8N2O3/c11-7-5-3-1-2-4(13-3)6(5)8(12)10-9-7/h1-6H,(H,9,11)(H,10,12)
InChIKey
GWMSMAWDTUYDPK-UHFFFAOYSA-N
Compound name
11-oxa-4,5-diazatricyclo[6.2.1.02,7]undec-9-ene-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 135.1
[M+Na]+ 203.04272 144.2
[M-H]- 179.04622 134.6
[M+NH4]+ 198.08732 156.1
[M+K]+ 219.01666 141.5
[M+H-H2O]+ 163.05076 130.5
[M+HCOO]- 225.05170 149.6
[M+CH3COO]- 239.06735 147.4
[M+Na-2H]- 201.02817 139.2
[M]+ 180.05295 132.2
[M]- 180.05405 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.