CID 20371

2-methyl-2-phenyl-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1(OCC(O1)CO)C2=CC=CC=C2
InChI
InChI=1S/C11H14O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h2-6,10,12H,7-8H2,1H3
InChIKey
LYQZNMYSUIDIML-UHFFFAOYSA-N
Compound name
(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

194.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 140.1
[M+Na]+ 217.083518 147.4
[M-H]- 193.087024 146.9
[M+NH4]+ 212.128123 159.9
[M+K]+ 233.057458 147.6
[M+H-H2O]+ 177.091560 135.1
[M+HCOO]- 239.092501 160.7
[M+CH3COO]- 253.108151 177.9
[M+Na-2H]- 215.068966 147.2
[M]+ 194.09375142 140.5
[M]- 194.09484858 140.5
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