CID 46901319

(4)-gingerol

Structural Information

Molecular Formula
C15H22O4
SMILES
CCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12,16,18H,3-5,7,10H2,1-2H3/t12-/m0/s1
InChIKey
GDRKZARFCIYVCI-LBPRGKRZSA-N
Compound name
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

266.1518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 163.2
[M+Na]+ 289.14102 173.1
[M+NH4]+ 284.18562 168.9
[M+K]+ 305.11496 168.2
[M-H]- 265.14452 162.7
[M+Na-2H]- 287.12647 166.1
[M]+ 266.15125 164.2
[M]- 266.15235 164.2
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