CID 100727

70964-65-7

Structural Information

Molecular Formula
C10H9NO4
SMILES
CCOC(=O)N1C(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C10H9NO4/c1-2-14-10(13)11-9(12)7-5-3-4-6-8(7)15-11/h3-6H,2H2,1H3
InChIKey
IBTAJIMCRCZHRC-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-1,2-benzoxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 139.7
[M+Na]+ 230.04238 153.1
[M+NH4]+ 225.08698 146.9
[M+K]+ 246.01632 150.1
[M-H]- 206.04588 141.3
[M+Na-2H]- 228.02783 144.8
[M]+ 207.05261 141.9
[M]- 207.05371 141.9
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

No patent data available for this compound.