CID 157010033

Methyl-[12]-gingerol

Structural Information

Molecular Formula
C24H40O4
SMILES
CCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O
InChI
InChI=1S/C24H40O4/c1-4-5-6-7-8-9-10-11-12-13-21(25)19-22(26)16-14-20-15-17-23(27-2)24(18-20)28-3/h15,17-18,21,25H,4-14,16,19H2,1-3H3
InChIKey
JQRRCYHOIQUQPT-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-5-hydroxyhexadecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.29266 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.299936 204.0
[M+Na]+ 415.281878 205.8
[M-H]- 391.285384 204.0
[M+NH4]+ 410.326483 214.7
[M+K]+ 431.255818 202.0
[M+H-H2O]+ 375.289920 195.6
[M+HCOO]- 437.290861 220.9
[M+CH3COO]- 451.306511 224.6
[M+Na-2H]- 413.267326 199.8
[M]+ 392.29211142 212.0
[M]- 392.29320858 212.0
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.