CID 14999388

1-dehydro-10-gingerdione

Structural Information

Molecular Formula
C21H30O4
SMILES
CCCCCCCCCC(=O)CC(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3/b13-11+
InChIKey
QJDGTTCAEQPSJA-ACCUITESSA-N
Compound name
(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

21
Patents

346.21442 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22170 187.5
[M+Na]+ 369.20364 196.7
[M+NH4]+ 364.24824 191.9
[M+K]+ 385.17758 190.0
[M-H]- 345.20714 186.7
[M+Na-2H]- 367.18909 189.2
[M]+ 346.21387 188.2
[M]- 346.21497 188.2
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