CID 162952

Gingerdione

Structural Information

Molecular Formula
C17H24O4
SMILES
CCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3
InChIKey
KMNVXQHNIWUUSE-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

363
Patents

292.16745 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 170.6
[M+Na]+ 315.15667 180.6
[M+NH4]+ 310.20127 176.0
[M+K]+ 331.13061 175.0
[M-H]- 291.16017 170.3
[M+Na-2H]- 313.14212 173.5
[M]+ 292.16690 171.6
[M]- 292.16800 171.6
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