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 144.7
[M+Na]+ 244.04545 154.2
[M-H]- 220.04895 149.4
[M+NH4]+ 239.09005 159.7
[M+K]+ 260.01939 147.2
[M+H-H2O]+ 204.05349 139.8
[M+HCOO]- 266.05443 166.0
[M+CH3COO]- 280.07008 174.8
[M+Na-2H]- 242.03090 152.5
[M]+ 221.05568 145.9
[M]- 221.05678 145.9
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.