CID 98081

2-(4-methoxyphenyl)-4-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1COC(O1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C11H14O3/c1-8-7-13-11(14-8)9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKey
DTACWEXJFYOAKS-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

194.0943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.0
[M+Na]+ 217.08352 147.8
[M-H]- 193.08702 148.2
[M+NH4]+ 212.12812 158.8
[M+K]+ 233.05746 148.8
[M+H-H2O]+ 177.09156 134.5
[M+HCOO]- 239.09250 162.2
[M+CH3COO]- 253.10815 182.1
[M+Na-2H]- 215.06897 145.7
[M]+ 194.09375 142.4
[M]- 194.09485 142.4
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