CID 202845

13389-97-4

Structural Information

Molecular Formula
C11H10O4
SMILES
C1C(C(OC1=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H10O4/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,13,14)
InChIKey
LRMTVZBRYDTDCU-UHFFFAOYSA-N
Compound name
5-oxo-2-phenyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

206.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.7
[M+Na]+ 229.04712 153.8
[M+NH4]+ 224.09172 150.0
[M+K]+ 245.02106 151.3
[M-H]- 205.05062 145.8
[M+Na-2H]- 227.03257 147.6
[M]+ 206.05735 144.9
[M]- 206.05845 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe