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

29
Patents

193.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 134.1
[M+Na]+ 216.02672 145.5
[M-H]- 192.03022 138.0
[M+NH4]+ 211.07132 153.5
[M+K]+ 232.00066 144.2
[M+H-H2O]+ 176.03476 128.5
[M+HCOO]- 238.03570 157.3
[M+CH3COO]- 252.05135 177.7
[M+Na-2H]- 214.01217 141.8
[M]+ 193.03695 138.7
[M]- 193.03805 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