CID 3290379

Dtxsid601148552

Structural Information

Molecular Formula
C10H9N2O4
SMILES
COC(=O)C1=CC=CC=C1[N+]2=CC(=O)ON2
InChI
InChI=1S/C10H8N2O4/c1-15-10(14)7-4-2-3-5-8(7)12-6-9(13)16-11-12/h2-6H,1H3/p+1
InChIKey
GZDHJWHSJSHCCH-UHFFFAOYSA-O
Compound name
methyl 2-(5-oxo-2H-oxadiazol-3-ium-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05623 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06351 142.8
[M+Na]+ 244.04545 157.5
[M+NH4]+ 239.09005 149.8
[M+K]+ 260.01939 156.0
[M-H]- 220.04895 146.3
[M+Na-2H]- 242.03090 149.8
[M]+ 221.05568 146.0
[M]- 221.05678 146.0
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.