CID 12395109

65422-70-0

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC(=O)C1=CC2=C(C=C1)OC(=O)N2
InChI
InChI=1S/C9H7NO4/c1-13-8(11)5-2-3-7-6(4-5)10-9(12)14-7/h2-4H,1H3,(H,10,12)
InChIKey
FYYHXPCXRBKEIH-UHFFFAOYSA-N
Compound name
methyl 2-oxo-3H-1,3-benzoxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

193.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 134.1
[M+Na]+ 216.026718 145.5
[M-H]- 192.030224 138.0
[M+NH4]+ 211.071323 153.5
[M+K]+ 232.000658 144.2
[M+H-H2O]+ 176.034760 128.5
[M+HCOO]- 238.035701 157.3
[M+CH3COO]- 252.051351 177.7
[M+Na-2H]- 214.012166 141.8
[M]+ 193.03695142 138.7
[M]- 193.03804858 138.7
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