CID 133637369

2104290-86-8

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1COC2=C1C=C(C=C2)C3=CC(=NO3)C(=O)O
InChI
InChI=1S/C12H9NO4/c14-12(15)9-6-11(17-13-9)7-1-2-10-8(5-7)3-4-16-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKey
RVGDVYJFDCUMGB-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-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 146.3
[M+Na]+ 254.04238 155.3
[M-H]- 230.04588 153.4
[M+NH4]+ 249.08698 164.0
[M+K]+ 270.01632 154.9
[M+H-H2O]+ 214.05042 140.9
[M+HCOO]- 276.05136 166.7
[M+CH3COO]- 290.06701 160.0
[M+Na-2H]- 252.02783 150.6
[M]+ 231.05261 148.9
[M]- 231.05371 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.