CID 43803992

3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1COC2=C1C=C(C=C2)C3=NOC(=C3)C(=O)O
InChI
InChI=1S/C12H9NO4/c14-12(15)11-6-9(13-17-11)7-1-2-10-8(5-7)3-4-16-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKey
YLZWIRUONYPDCZ-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 146.8
[M+Na]+ 254.04238 158.7
[M+NH4]+ 249.08698 154.3
[M+K]+ 270.01632 158.4
[M-H]- 230.04588 151.1
[M+Na-2H]- 252.02783 151.1
[M]+ 231.05261 149.5
[M]- 231.05371 149.5
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.