CID 105735

1,3-benzenediol, 4,4'-(5-hydroxypentylidene)bis-

Structural Information

Molecular Formula
C17H20O5
SMILES
C1=CC(=C(C=C1O)O)C(CCCCO)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C17H20O5/c18-8-2-1-3-13(14-6-4-11(19)9-16(14)21)15-7-5-12(20)10-17(15)22/h4-7,9-10,13,18-22H,1-3,8H2
InChIKey
INPTVGAWRSNOSM-UHFFFAOYSA-N
Compound name
4-[1-(2,4-dihydroxyphenyl)-5-hydroxypentyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13107 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13835 171.9
[M+Na]+ 327.12029 183.2
[M+NH4]+ 322.16489 177.2
[M+K]+ 343.09423 178.5
[M-H]- 303.12379 172.8
[M+Na-2H]- 325.10574 176.1
[M]+ 304.13052 173.5
[M]- 304.13162 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.