CID 17042

2425-41-4

Structural Information

Molecular Formula
C12H16O4
SMILES
C1C(COC(O1)C2=CC=CC=C2)(CO)CO
InChI
InChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2
InChIKey
DHWCGYXHBIWIPM-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

116
Patents

224.10486 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 149.2
[M+Na]+ 247.09408 161.1
[M+NH4]+ 242.13868 158.2
[M+K]+ 263.06802 154.2
[M-H]- 223.09758 154.5
[M+Na-2H]- 245.07953 156.1
[M]+ 224.10431 152.5
[M]- 224.10541 152.5
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