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]+ 393.29994 202.5
[M+Na]+ 415.28188 211.0
[M+NH4]+ 410.32648 206.9
[M+K]+ 431.25582 203.7
[M-H]- 391.28538 202.1
[M+Na-2H]- 413.26733 203.6
[M]+ 392.29211 203.3
[M]- 392.29321 203.3
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.