CID 6499989

65422-72-2

Structural Information

Molecular Formula
C8H5NO4
SMILES
C1=CC2=C(C=C1C(=O)O)NC(=O)O2
InChI
InChI=1S/C8H5NO4/c10-7(11)4-1-2-6-5(3-4)9-8(12)13-6/h1-3H,(H,9,12)(H,10,11)
InChIKey
KHVGBYCMDLCIAF-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-benzoxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

179.02185 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02913 129.8
[M+Na]+ 202.01107 141.1
[M-H]- 178.01457 132.4
[M+NH4]+ 197.05567 149.0
[M+K]+ 217.98501 139.1
[M+H-H2O]+ 162.01911 124.6
[M+HCOO]- 224.02005 151.8
[M+CH3COO]- 238.03570 172.9
[M+Na-2H]- 199.99652 137.6
[M]+ 179.02130 132.3
[M]- 179.02240 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