CID 5319203

3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]propane-1,2-diol

Structural Information

Molecular Formula
C18H20O4
SMILES
C=CCC1=C(C=CC(=C1)C2=C(C=CC(=C2)CC(CO)O)O)O
InChI
InChI=1S/C18H20O4/c1-2-3-14-10-13(5-7-17(14)21)16-9-12(4-6-18(16)22)8-15(20)11-19/h2,4-7,9-10,15,19-22H,1,3,8,11H2
InChIKey
LHJCLTLPXXKFTJ-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

173
Patents

300.13617 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.143446 170.6
[M+Na]+ 323.125388 177.0
[M-H]- 299.128894 172.2
[M+NH4]+ 318.169993 183.1
[M+K]+ 339.099328 171.3
[M+H-H2O]+ 283.133430 163.7
[M+HCOO]- 345.134371 187.4
[M+CH3COO]- 359.150021 197.5
[M+Na-2H]- 321.110836 170.6
[M]+ 300.13562142 169.6
[M]- 300.13671858 169.6
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