CID 3688613

(2-phenyl-1,3-dioxolane-4,5-diyl)dimethanol

Structural Information

Molecular Formula
C11H14O4
SMILES
C1=CC=C(C=C1)C2OC(C(O2)CO)CO
InChI
InChI=1S/C11H14O4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2
InChIKey
AEJRVTSEJAYBNR-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

210.0892 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.2
[M+Na]+ 233.07842 150.9
[M-H]- 209.08192 149.6
[M+NH4]+ 228.12302 160.7
[M+K]+ 249.05236 150.5
[M+H-H2O]+ 193.08646 138.7
[M+HCOO]- 255.08740 163.4
[M+CH3COO]- 269.10305 179.3
[M+Na-2H]- 231.06387 149.0
[M]+ 210.08865 144.3
[M]- 210.08975 144.3
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