CID 656695

2,3-bis(4-hydroxyphenyl)-1,2-propanediol

Structural Information

Molecular Formula
C15H16O4
SMILES
C1=CC(=CC=C1CC(CO)(C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C15H16O4/c16-10-15(19,12-3-7-14(18)8-4-12)9-11-1-5-13(17)6-2-11/h1-8,16-19H,9-10H2
InChIKey
ABSPGUJLBOZTPT-UHFFFAOYSA-N
Compound name
2,3-bis(4-hydroxyphenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

260.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 158.5
[M+Na]+ 283.09408 164.9
[M-H]- 259.09758 160.1
[M+NH4]+ 278.13868 172.4
[M+K]+ 299.06802 160.2
[M+H-H2O]+ 243.10212 152.3
[M+HCOO]- 305.10306 175.7
[M+CH3COO]- 319.11871 186.3
[M+Na-2H]- 281.07953 163.7
[M]+ 260.10431 156.6
[M]- 260.10541 156.6
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.