CID 202843

13389-96-3

Structural Information

Molecular Formula
C11H10O4
SMILES
C1CC(OC1=O)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H10O4/c12-9-6-7-11(15-9,10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKey
GTGBLJJWFWSRNL-UHFFFAOYSA-N
Compound name
5-oxo-2-phenyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.9
[M+Na]+ 229.04712 153.7
[M+NH4]+ 224.09172 151.7
[M+K]+ 245.02106 149.3
[M-H]- 205.05062 145.9
[M+Na-2H]- 227.03257 149.6
[M]+ 206.05735 145.2
[M]- 206.05845 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.