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]+ 391.28428 202.3
[M+Na]+ 413.26622 204.8
[M-H]- 389.26972 204.0
[M+NH4]+ 408.31082 213.9
[M+K]+ 429.24016 201.8
[M+H-H2O]+ 373.27426 194.0
[M+HCOO]- 435.27520 220.1
[M+CH3COO]- 449.29085 226.6
[M+Na-2H]- 411.25167 197.5
[M]+ 390.27645 210.9
[M]- 390.27755 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.