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 135.2
[M+Na]+ 191.06786 141.8
[M-H]- 167.07136 134.9
[M+NH4]+ 186.11246 153.6
[M+K]+ 207.04180 139.3
[M+H-H2O]+ 151.07590 130.1
[M+HCOO]- 213.07684 154.8
[M+CH3COO]- 227.09249 171.7
[M+Na-2H]- 189.05331 139.9
[M]+ 168.07809 133.5
[M]- 168.07919 133.5
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

patents stripe