CID 5318276

1-(4-hydroxy-3-methoxyphenyl)octane-3,5-diol

Structural Information

Molecular Formula
C15H24O4
SMILES
CCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
InChI
InChI=1S/C15H24O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12-13,16-18H,3-5,7,10H2,1-2H3
InChIKey
SVZGCYLXISBVQK-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)octane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

268.16745 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 164.6
[M+Na]+ 291.15667 173.8
[M+NH4]+ 286.20127 170.2
[M+K]+ 307.13061 169.4
[M-H]- 267.16017 163.8
[M+Na-2H]- 289.14212 166.9
[M]+ 268.16690 165.4
[M]- 268.16800 165.4
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

patents stripe