CID 101419545

[6]-gingerdiol 5-acetate

Structural Information

Molecular Formula
C19H30O5
SMILES
CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)OC(=O)C
InChI
InChI=1S/C19H30O5/c1-4-5-6-7-17(24-14(2)20)13-16(21)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,16-17,21-22H,4-8,10,13H2,1-3H3
InChIKey
SLEAGHNVFZTGGH-UHFFFAOYSA-N
Compound name
[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.20932 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21660 184.6
[M+Na]+ 361.19854 187.8
[M-H]- 337.20204 184.3
[M+NH4]+ 356.24314 196.8
[M+K]+ 377.17248 185.7
[M+H-H2O]+ 321.20658 177.4
[M+HCOO]- 383.20752 201.0
[M+CH3COO]- 397.22317 209.8
[M+Na-2H]- 359.18399 181.5
[M]+ 338.20877 189.6
[M]- 338.20987 189.7
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.