CID 5319663

6-methylgingediol

Structural Information

Molecular Formula
C18H30O4
SMILES
CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)O)O
InChI
InChI=1S/C18H30O4/c1-4-5-6-7-15(19)13-16(20)10-8-14-9-11-17(21-2)18(12-14)22-3/h9,11-12,15-16,19-20H,4-8,10,13H2,1-3H3
InChIKey
HDNGHNOEMOMCKM-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)decane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.21442 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.22170 178.6
[M+Na]+ 333.20364 182.3
[M-H]- 309.20714 178.4
[M+NH4]+ 328.24824 192.1
[M+K]+ 349.17758 179.7
[M+H-H2O]+ 293.21168 171.5
[M+HCOO]- 355.21262 195.9
[M+CH3COO]- 369.22827 205.3
[M+Na-2H]- 331.18909 177.0
[M]+ 310.21387 183.2
[M]- 310.21497 183.2
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

patents stripe