CID 10754781

212116-72-8

Structural Information

Molecular Formula
C16H18O4
SMILES
COC1=CC(=CC(=C1OC)O)CCC2=CC=CC=C2O
InChI
InChI=1S/C16H18O4/c1-19-15-10-11(9-14(18)16(15)20-2)7-8-12-5-3-4-6-13(12)17/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKey
UKTGWJQYLXXLOG-UHFFFAOYSA-N
Compound name
5-[2-(2-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

274.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 161.7
[M+Na]+ 297.10972 170.0
[M-H]- 273.11322 166.5
[M+NH4]+ 292.15432 177.1
[M+K]+ 313.08366 166.4
[M+H-H2O]+ 257.11776 154.5
[M+HCOO]- 319.11870 183.2
[M+CH3COO]- 333.13435 195.9
[M+Na-2H]- 295.09517 165.0
[M]+ 274.11995 165.2
[M]- 274.12105 165.2
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.