CID 10921091

100960-55-2

Structural Information

Molecular Formula
C8H5NO4
SMILES
C1=CC(=C2C(=C1)OC(=O)N2)C(=O)O
InChI
InChI=1S/C8H5NO4/c10-7(11)4-2-1-3-5-6(4)9-8(12)13-5/h1-3H,(H,9,12)(H,10,11)
InChIKey
BHUOYWFKNMUNNR-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-benzoxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

179.02185 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.029126 129.8
[M+Na]+ 202.011068 141.1
[M-H]- 178.014574 132.4
[M+NH4]+ 197.055673 149.0
[M+K]+ 217.985008 139.1
[M+H-H2O]+ 162.019110 124.6
[M+HCOO]- 224.020051 151.8
[M+CH3COO]- 238.035701 172.9
[M+Na-2H]- 199.996516 137.6
[M]+ 179.02130142 132.3
[M]- 179.02239858 132.3
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

patents stripe