CID 44610342

1-dehydro-[8]-gingerdione

Structural Information

Molecular Formula
C19H26O4
SMILES
CCCCCCCC(=O)CC(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3/b11-9+
InChIKey
QOJHXMDTWFYFRL-PKNBQFBNSA-N
Compound name
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

318.1831 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19038 178.7
[M+Na]+ 341.17232 188.4
[M+NH4]+ 336.21692 183.5
[M+K]+ 357.14626 182.1
[M-H]- 317.17582 178.0
[M+Na-2H]- 339.15777 180.9
[M]+ 318.18255 179.5
[M]- 318.18365 179.5
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