CID 129737753

[6]-gingerdiol 3-monoacetate

Structural Information

Molecular Formula
C19H30O5
SMILES
CCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)O)OC)OC(=O)C)O
InChI
InChI=1S/C19H30O5/c1-4-5-6-7-16(21)13-17(24-14(2)20)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/t16-,17+/m0/s1
InChIKey
OEGIGAPIFHYJOL-DLBZAZTESA-N
Compound name
[(3R,5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
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 189.6
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