CID 43112

2-p-cumenyl-2-methyl-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C14H20O3
SMILES
CC(C)C1=CC=C(C=C1)C2(OCC(O2)CO)C
InChI
InChI=1S/C14H20O3/c1-10(2)11-4-6-12(7-5-11)14(3)16-9-13(8-15)17-14/h4-7,10,13,15H,8-9H2,1-3H3
InChIKey
LPYIJRGDHWYCLS-UHFFFAOYSA-N
Compound name
[2-methyl-2-(4-propan-2-ylphenyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14125 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 153.5
[M+Na]+ 259.13047 164.9
[M+NH4]+ 254.17507 162.8
[M+K]+ 275.10441 159.9
[M-H]- 235.13397 158.7
[M+Na-2H]- 257.11592 159.4
[M]+ 236.14070 156.7
[M]- 236.14180 156.7
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.

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No patent data available for this compound.