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

11
Patents

346.21442 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.221696 187.3
[M+Na]+ 369.203638 191.2
[M-H]- 345.207144 188.1
[M+NH4]+ 364.248243 200.0
[M+K]+ 385.177578 186.9
[M+H-H2O]+ 329.211680 179.8
[M+HCOO]- 391.212621 205.8
[M+CH3COO]- 405.228271 213.7
[M+Na-2H]- 367.189086 184.9
[M]+ 346.21387142 192.8
[M]- 346.21496858 192.8
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