CID 99988264

1969287-91-9

Structural Information

Molecular Formula
C11H12O4
SMILES
C1CO[C@H]([C@H](O1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H12O4/c12-11(13)10-9(14-6-7-15-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10-/m1/s1
InChIKey
OZVZMPDVUMTGKV-NXEZZACHSA-N
Compound name
(2R,3R)-3-phenyl-1,4-dioxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 143.5
[M+Na]+ 231.06278 155.7
[M+NH4]+ 226.10738 151.3
[M+K]+ 247.03672 151.2
[M-H]- 207.06628 148.9
[M+Na-2H]- 229.04823 149.3
[M]+ 208.07301 146.7
[M]- 208.07411 146.7
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

patents stripe