CID 71597733

6-methoxy-3-[2-(3-methoxyphenyl)ethyl]cyclohexa-1,5-dien-1-ol

Structural Information

Molecular Formula
C16H20O3
SMILES
COC1=CCC(C=C1O)CCC2=CC(=CC=C2)OC
InChI
InChI=1S/C16H20O3/c1-18-14-5-3-4-12(10-14)6-7-13-8-9-16(19-2)15(17)11-13/h3-5,9-11,13,17H,6-8H2,1-2H3
InChIKey
BQLPKBIOTXWUOK-UHFFFAOYSA-N
Compound name
6-methoxy-3-[2-(3-methoxyphenyl)ethyl]cyclohexa-1,5-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.14124 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 159.9
[M+Na]+ 283.13046 166.8
[M-H]- 259.13396 165.2
[M+NH4]+ 278.17506 176.2
[M+K]+ 299.10440 163.5
[M+H-H2O]+ 243.13850 152.5
[M+HCOO]- 305.13944 181.3
[M+CH3COO]- 319.15509 195.3
[M+Na-2H]- 281.11591 163.3
[M]+ 260.14069 161.9
[M]- 260.14179 161.9
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.