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 165.3
[M+Na]+ 291.15667 169.8
[M-H]- 267.16017 164.3
[M+NH4]+ 286.20127 179.8
[M+K]+ 307.13061 167.1
[M+H-H2O]+ 251.16471 159.1
[M+HCOO]- 313.16565 182.1
[M+CH3COO]- 327.18130 194.0
[M+Na-2H]- 289.14212 164.8
[M]+ 268.16690 166.9
[M]- 268.16800 166.9
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

patents stripe