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 204.0
[M+Na]+ 415.28188 205.8
[M-H]- 391.28538 204.0
[M+NH4]+ 410.32648 214.7
[M+K]+ 431.25582 202.0
[M+H-H2O]+ 375.28992 195.6
[M+HCOO]- 437.29086 220.9
[M+CH3COO]- 451.30651 224.6
[M+Na-2H]- 413.26733 199.8
[M]+ 392.29211 212.0
[M]- 392.29321 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.