CID 23955894

40072-82-0

Structural Information

Molecular Formula
C15H14O5
SMILES
COC\1=CC(=O)O/C1=C(\[C@H]2[C@@H](O2)C3=CC=CC=C3)/OC
InChI
InChI=1S/C15H14O5/c1-17-10-8-11(16)19-13(10)14(18-2)15-12(20-15)9-6-4-3-5-7-9/h3-8,12,15H,1-2H3/b14-13+/t12-,15+/m0/s1
InChIKey
RTNGMIUMJUOABT-ONKYJICLSA-N
Compound name
(5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

274.08414 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.091416 156.8
[M+Na]+ 297.073358 166.7
[M-H]- 273.076864 169.1
[M+NH4]+ 292.117963 167.6
[M+K]+ 313.047298 166.1
[M+H-H2O]+ 257.081400 150.3
[M+HCOO]- 319.082341 178.7
[M+CH3COO]- 333.097991 199.2
[M+Na-2H]- 295.058806 160.2
[M]+ 274.08359142 164.3
[M]- 274.08468858 164.3
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

No patent data available for this compound.