CID 23757115

52247-80-0

Structural Information

Molecular Formula
C14H14O4
SMILES
COC1=CC(=O)O[C@H]([C@@H]1O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H14O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-9,11,14,16H,1H3/b8-7+/t11-,14-/m0/s1
InChIKey
UDDKTZFKFIZQAW-XNHDODSBSA-N
Compound name
(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

246.0892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.096476 153.2
[M+Na]+ 269.078418 160.7
[M-H]- 245.081924 159.4
[M+NH4]+ 264.123023 168.6
[M+K]+ 285.052358 158.4
[M+H-H2O]+ 229.086460 146.2
[M+HCOO]- 291.087401 173.6
[M+CH3COO]- 305.103051 189.7
[M+Na-2H]- 267.063866 157.7
[M]+ 246.08865142 153.7
[M]- 246.08974858 153.7
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

patents stripe