CID 43503832

1156391-91-1

Structural Information

Molecular Formula
C17H20O4
SMILES
CC(C1=CC(=C(C=C1)OCC2=CC(=CC=C2)OC)OC)O
InChI
InChI=1S/C17H20O4/c1-12(18)14-7-8-16(17(10-14)20-3)21-11-13-5-4-6-15(9-13)19-2/h4-10,12,18H,11H2,1-3H3
InChIKey
XEDJBURFPWCCSR-UHFFFAOYSA-N
Compound name
1-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.13617 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 166.4
[M+Na]+ 311.12539 173.4
[M-H]- 287.12889 172.0
[M+NH4]+ 306.16999 181.5
[M+K]+ 327.09933 171.0
[M+H-H2O]+ 271.13343 158.6
[M+HCOO]- 333.13437 188.1
[M+CH3COO]- 347.15002 201.0
[M+Na-2H]- 309.11084 169.1
[M]+ 288.13562 170.9
[M]- 288.13672 170.9
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.