CID 11724721

14-(2',3',5'-trihydroxyphenyl)tetradecan-2-ol

Structural Information

Molecular Formula
C20H34O4
SMILES
CC(CCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)O)O
InChI
InChI=1S/C20H34O4/c1-16(21)12-10-8-6-4-2-3-5-7-9-11-13-17-14-18(22)15-19(23)20(17)24/h14-16,21-24H,2-13H2,1H3
InChIKey
AAMYMLZZYOONFN-UHFFFAOYSA-N
Compound name
6-(13-hydroxytetradecyl)benzene-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.2457 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25298 187.3
[M+Na]+ 361.23492 190.4
[M-H]- 337.23842 184.2
[M+NH4]+ 356.27952 198.6
[M+K]+ 377.20886 185.2
[M+H-H2O]+ 321.24296 180.5
[M+HCOO]- 383.24390 201.8
[M+CH3COO]- 397.25955 206.9
[M+Na-2H]- 359.22037 184.3
[M]+ 338.24515 189.9
[M]- 338.24625 189.9
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.