CID 14766145

2-(4-hydroxyphenyl)propane-1,3-diol

Structural Information

Molecular Formula
C9H12O3
SMILES
C1=CC(=CC=C1C(CO)CO)O
InChI
InChI=1S/C9H12O3/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4,8,10-12H,5-6H2
InChIKey
OHQCBEWNAYWDNA-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

168.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 135.0
[M+Na]+ 191.06786 146.0
[M+NH4]+ 186.11246 142.3
[M+K]+ 207.04180 141.4
[M-H]- 167.07136 135.1
[M+Na-2H]- 189.05331 140.0
[M]+ 168.07809 136.3
[M]- 168.07919 136.3
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

patents stripe