CID 99776

5-oxo-4-phenyltetrahydro-2-furoic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
C1C(C(=O)OC1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H10O4/c12-10(13)9-6-8(11(14)15-9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)
InChIKey
URLJMITWYUZHGP-UHFFFAOYSA-N
Compound name
5-oxo-4-phenyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 141.2
[M+Na]+ 229.04712 148.6
[M-H]- 205.05062 147.5
[M+NH4]+ 224.09172 159.7
[M+K]+ 245.02106 147.5
[M+H-H2O]+ 189.05516 135.6
[M+HCOO]- 251.05610 162.3
[M+CH3COO]- 265.07175 180.8
[M+Na-2H]- 227.03257 144.5
[M]+ 206.05735 140.4
[M]- 206.05845 140.4
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.