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]+ 232.060436 146.3
[M+Na]+ 254.042378 155.3
[M-H]- 230.045884 153.4
[M+NH4]+ 249.086983 164.0
[M+K]+ 270.016318 154.9
[M+H-H2O]+ 214.050420 140.9
[M+HCOO]- 276.051361 166.7
[M+CH3COO]- 290.067011 160.0
[M+Na-2H]- 252.027826 150.6
[M]+ 231.05261142 148.9
[M]- 231.05370858 148.9
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.