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]+ 208.060436 138.4
[M+Na]+ 230.042378 150.0
[M-H]- 206.045884 143.6
[M+NH4]+ 225.086983 158.1
[M+K]+ 246.016318 149.3
[M+H-H2O]+ 190.050420 132.5
[M+HCOO]- 252.051361 162.9
[M+CH3COO]- 266.067011 182.5
[M+Na-2H]- 228.027826 146.1
[M]+ 207.05261142 145.2
[M]- 207.05370858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.