CID 63018627

1225905-22-5

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC=C(C=C1)CC(C2=CC3=C(C=C2)OCO3)O
InChI
InChI=1S/C16H16O4/c1-18-13-5-2-11(3-6-13)8-14(17)12-4-7-15-16(9-12)20-10-19-15/h2-7,9,14,17H,8,10H2,1H3
InChIKey
CWRLBMQWLIXCTN-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.2
[M+Na]+ 295.09408 173.5
[M+NH4]+ 290.13868 168.5
[M+K]+ 311.06802 169.5
[M-H]- 271.09758 166.4
[M+Na-2H]- 293.07953 165.8
[M]+ 272.10431 163.9
[M]- 272.10541 163.9
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

No patent data available for this compound.