CID 21789889

Brn 4521804

Structural Information

Molecular Formula
C15H18O6
SMILES
CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC(=C(C=C2OC)OC)OC
InChI
InChI=1S/C15H18O6/c1-8(16)9-6-14(17)21-15(9)10-5-12(19-3)13(20-4)7-11(10)18-2/h5,7,9,15H,6H2,1-4H3/t9-,15+/m1/s1
InChIKey
GUJUVEHFTFNMRH-PSLIRLAXSA-N
Compound name
(4S,5S)-4-acetyl-5-(2,4,5-trimethoxyphenyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11035 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11763 164.5
[M+Na]+ 317.09957 175.4
[M+NH4]+ 312.14417 170.2
[M+K]+ 333.07351 173.4
[M-H]- 293.10307 167.0
[M+Na-2H]- 315.08502 167.4
[M]+ 294.10980 166.5
[M]- 294.11090 166.5
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.