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 170.4
[M+Na]+ 327.12029 176.2
[M-H]- 303.12379 170.7
[M+NH4]+ 322.16489 182.0
[M+K]+ 343.09423 171.3
[M+H-H2O]+ 287.12833 163.5
[M+HCOO]- 349.12927 186.0
[M+CH3COO]- 363.14492 195.4
[M+Na-2H]- 325.10574 170.5
[M]+ 304.13052 169.4
[M]- 304.13162 169.4
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.