CID 157009850

Acetoxy-[10]-gingerol

Structural Information

Molecular Formula
C24H38O4
SMILES
CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)C)OC)OC(=O)C
InChI
InChI=1S/C24H38O4/c1-5-6-7-8-9-10-11-12-23(28-20(3)25)18-22(26)16-15-21-14-13-19(2)24(17-21)27-4/h13-14,17,23H,5-12,15-16,18H2,1-4H3/t23-/m0/s1
InChIKey
KRNPXTSKQYTSGR-QHCPKHFHSA-N
Compound name
[(5S)-1-(3-methoxy-4-methylphenyl)-3-oxotetradecan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.277 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.284276 202.3
[M+Na]+ 413.266218 204.8
[M-H]- 389.269724 204.0
[M+NH4]+ 408.310823 213.9
[M+K]+ 429.240158 201.8
[M+H-H2O]+ 373.274260 194.0
[M+HCOO]- 435.275201 220.1
[M+CH3COO]- 449.290851 226.6
[M+Na-2H]- 411.251666 197.5
[M]+ 390.27645142 210.9
[M]- 390.27754858 210.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.