CID 15572

(2-phenyl-1,3-dioxolan-4-yl)methanol

Structural Information

Molecular Formula
C10H12O3
SMILES
C1C(OC(O1)C2=CC=CC=C2)CO
InChI
InChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKey
AUDDNHGBAJNKEH-UHFFFAOYSA-N
Compound name
(2-phenyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

199
Patents

180.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.1
[M+Na]+ 203.06786 142.9
[M-H]- 179.07136 142.7
[M+NH4]+ 198.11246 154.4
[M+K]+ 219.04180 143.2
[M+H-H2O]+ 163.07590 130.7
[M+HCOO]- 225.07684 157.1
[M+CH3COO]- 239.09249 175.4
[M+Na-2H]- 201.05331 142.5
[M]+ 180.07809 135.8
[M]- 180.07919 135.8
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