CID 11778181

165375-15-5

Structural Information

Molecular Formula
C15H16O5
SMILES
CC(=O)O[C@@H]1[C@H](C=C[C@H]1OC(=O)C2=CC=CC=C2)CO
InChI
InChI=1S/C15H16O5/c1-10(17)19-14-12(9-16)7-8-13(14)20-15(18)11-5-3-2-4-6-11/h2-8,12-14,16H,9H2,1H3/t12-,13-,14-/m1/s1
InChIKey
IVZLDDMMLSHLIP-MGPQQGTHSA-N
Compound name
[(1R,4R,5R)-5-acetyloxy-4-(hydroxymethyl)cyclopent-2-en-1-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09976 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 161.7
[M+Na]+ 299.08898 167.8
[M-H]- 275.09248 167.1
[M+NH4]+ 294.13358 178.6
[M+K]+ 315.06292 165.9
[M+H-H2O]+ 259.09702 155.0
[M+HCOO]- 321.09796 183.0
[M+CH3COO]- 335.11361 194.1
[M+Na-2H]- 297.07443 161.7
[M]+ 276.09921 163.7
[M]- 276.10031 163.7
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.