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 145.4
[M+Na]+ 243.06278 152.9
[M-H]- 219.06628 153.0
[M+NH4]+ 238.10738 164.2
[M+K]+ 259.03672 152.5
[M+H-H2O]+ 203.07082 139.5
[M+HCOO]- 265.07176 167.8
[M+CH3COO]- 279.08741 185.6
[M+Na-2H]- 241.04823 148.6
[M]+ 220.07301 146.8
[M]- 220.07411 146.8
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