CID 44257557

Kuhlmanniquinol

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=C(C(=C(C=C1[C@H](C=C)C2=CC=C(C=C2)O)O)OC)OC
InChI
InChI=1S/C18H20O5/c1-5-13(11-6-8-12(19)9-7-11)14-10-15(20)17(22-3)18(23-4)16(14)21-2/h5-10,13,19-20H,1H2,2-4H3/t13-/m1/s1
InChIKey
YMGWJOIJYYZHCV-CYBMUJFWSA-N
Compound name
5-[(1R)-1-(4-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13107 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 172.0
[M+Na]+ 339.12029 180.0
[M-H]- 315.12379 176.8
[M+NH4]+ 334.16489 185.6
[M+K]+ 355.09423 176.9
[M+H-H2O]+ 299.12833 164.6
[M+HCOO]- 361.12927 192.1
[M+CH3COO]- 375.14492 205.6
[M+Na-2H]- 337.10574 172.4
[M]+ 316.13052 176.7
[M]- 316.13162 176.7
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.