CID 86196540

[12]-gingerdiol

Structural Information

Molecular Formula
C23H40O4
SMILES
CCCCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
InChI
InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,20-21,24-26H,3-13,15,18H2,1-2H3
InChIKey
HWCBBIAYOKOIHB-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.29266 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29994 200.1
[M+Na]+ 403.28188 207.6
[M+NH4]+ 398.32648 204.3
[M+K]+ 419.25582 201.3
[M-H]- 379.28538 199.0
[M+Na-2H]- 401.26733 200.3
[M]+ 380.29211 200.5
[M]- 380.29321 200.5
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.