CID 12564532

72752-80-8

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC(=O)C1=CC2=C(C=C1)NC(=O)O2
InChI
InChI=1S/C9H7NO4/c1-13-8(11)5-2-3-6-7(4-5)14-9(12)10-6/h2-4H,1H3,(H,10,12)
InChIKey
FUJBKRLYHYJMNF-UHFFFAOYSA-N
Compound name
methyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
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

literature stripe

Patent stripe

patents stripe