CID 85187741

Verimol c

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1C(OC(O1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H20O4/c1-12-17(13-4-8-15(19-2)9-5-13)22-18(21-12)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3
InChIKey
LYZZEJQTEOAYRE-UHFFFAOYSA-N
Compound name
2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.143446 169.1
[M+Na]+ 323.125388 177.0
[M-H]- 299.128894 180.7
[M+NH4]+ 318.169993 183.6
[M+K]+ 339.099328 176.4
[M+H-H2O]+ 283.133430 161.8
[M+HCOO]- 345.134371 190.5
[M+CH3COO]- 359.150021 203.6
[M+Na-2H]- 321.110836 171.6
[M]+ 300.13562142 173.5
[M]- 300.13671858 173.5
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

No patent data available for this compound.