CID 86196543

Methyl-[12]-gingerdiol

Structural Information

Molecular Formula
C24H42O4
SMILES
CCCCCCCCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)O)O
InChI
InChI=1S/C24H42O4/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/h15,17-18,21-22,25-26H,4-14,16,19H2,1-3H3
InChIKey
JPTWXRLYILAXIR-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)hexadecane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.30832 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.31560 205.7
[M+Na]+ 417.29754 206.7
[M-H]- 393.30104 204.2
[M+NH4]+ 412.34214 215.7
[M+K]+ 433.27148 202.7
[M+H-H2O]+ 377.30558 197.4
[M+HCOO]- 439.30652 220.9
[M+CH3COO]- 453.32217 222.9
[M+Na-2H]- 415.28299 200.9
[M]+ 394.30777 212.4
[M]- 394.30887 212.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.