CID 123302

Methyl 5-oxo-2-phenyloxolane-3-carboxylate

Structural Information

Molecular Formula
C12H12O4
SMILES
COC(=O)C1CC(=O)OC1C2=CC=CC=C2
InChI
InChI=1S/C12H12O4/c1-15-12(14)9-7-10(13)16-11(9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKey
UTMMTSFNCUGDPF-UHFFFAOYSA-N
Compound name
methyl 5-oxo-2-phenyloxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 146.7
[M+Na]+ 243.06278 158.2
[M+NH4]+ 238.10738 154.2
[M+K]+ 259.03672 155.1
[M-H]- 219.06628 150.3
[M+Na-2H]- 241.04823 151.9
[M]+ 220.07301 149.1
[M]- 220.07411 149.1
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

patents stripe