CID 5275727

[6]-gingerdiol

Structural Information

Molecular Formula
C17H28O4
SMILES
CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
InChI
InChI=1S/C17H28O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3
InChIKey
QYXKQNMJTHPKBP-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

296.19876 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20604 174.4
[M+Na]+ 319.18798 178.1
[M-H]- 295.19148 173.0
[M+NH4]+ 314.23258 187.8
[M+K]+ 335.16192 174.9
[M+H-H2O]+ 279.19602 167.8
[M+HCOO]- 341.19696 190.5
[M+CH3COO]- 355.21261 200.0
[M+Na-2H]- 317.17343 172.9
[M]+ 296.19821 176.8
[M]- 296.19931 176.8
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