CID 90602

24762-58-1

Structural Information

Molecular Formula
C17H20O4
SMILES
COC1=C(C=CC(=C1)CCCC2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C17H20O4/c1-20-16-10-12(6-8-14(16)18)4-3-5-13-7-9-15(19)17(11-13)21-2/h6-11,18-19H,3-5H2,1-2H3
InChIKey
WYDABCWWYLPFOI-UHFFFAOYSA-N
Compound name
4-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

288.13617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 166.4
[M+Na]+ 311.12539 174.1
[M-H]- 287.12889 170.9
[M+NH4]+ 306.16999 181.1
[M+K]+ 327.09933 170.4
[M+H-H2O]+ 271.13343 158.9
[M+HCOO]- 333.13437 187.5
[M+CH3COO]- 347.15002 198.9
[M+Na-2H]- 309.11084 169.1
[M]+ 288.13562 170.1
[M]- 288.13672 170.1
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

patents stripe