CID 28445

17280-90-9

Structural Information

Molecular Formula
C10H9NO4
SMILES
CCOC(=O)N1C2=CC=CC=C2OC1=O
InChI
InChI=1S/C10H9NO4/c1-2-14-9(12)11-7-5-3-4-6-8(7)15-10(11)13/h3-6H,2H2,1H3
InChIKey
GNKDZBUSDLIVPQ-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-1,3-benzoxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
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 138.4
[M+Na]+ 230.04238 150.0
[M-H]- 206.04588 143.6
[M+NH4]+ 225.08698 158.1
[M+K]+ 246.01632 149.3
[M+H-H2O]+ 190.05042 132.5
[M+HCOO]- 252.05136 162.9
[M+CH3COO]- 266.06701 182.5
[M+Na-2H]- 228.02783 146.1
[M]+ 207.05261 145.2
[M]- 207.05371 145.2
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

No patent data available for this compound.