CID 99988264

Rac-(2r,3r)-3-phenyl-1,4-dioxane-2-carboxylic acid

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

4
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 143.3
[M+Na]+ 231.06278 148.6
[M-H]- 207.06628 149.5
[M+NH4]+ 226.10738 158.2
[M+K]+ 247.03672 149.2
[M+H-H2O]+ 191.07082 136.6
[M+HCOO]- 253.07176 161.1
[M+CH3COO]- 267.08741 181.2
[M+Na-2H]- 229.04823 149.4
[M]+ 208.07301 141.3
[M]- 208.07411 141.3
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