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

literature stripe

Patent stripe

patents stripe