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
3
Annotation Hits

0
References

40
Patents

194.0943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 140.0
[M+Na]+ 217.083518 147.8
[M-H]- 193.087024 148.2
[M+NH4]+ 212.128123 158.8
[M+K]+ 233.057458 148.8
[M+H-H2O]+ 177.091560 134.5
[M+HCOO]- 239.092501 162.2
[M+CH3COO]- 253.108151 182.1
[M+Na-2H]- 215.068966 145.7
[M]+ 194.09375142 142.4
[M]- 194.09484858 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