CID 118119

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

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1OCC(O1)C2=CC=CC=C2
InChI
InChI=1S/C10H12O2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey
YPPGSWWESBCSCT-UHFFFAOYSA-N
Compound name
2-methyl-4-phenyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

383
Patents

164.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 132.4
[M+Na]+ 187.072938 139.8
[M-H]- 163.076444 140.4
[M+NH4]+ 182.117543 152.2
[M+K]+ 203.046878 140.5
[M+H-H2O]+ 147.080980 127.0
[M+HCOO]- 209.081921 154.7
[M+CH3COO]- 223.097571 175.9
[M+Na-2H]- 185.058386 139.3
[M]+ 164.08317142 132.6
[M]- 164.08426858 132.6
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