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

26
Patents

168.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 135.2
[M+Na]+ 191.067858 141.8
[M-H]- 167.071364 134.9
[M+NH4]+ 186.112463 153.6
[M+K]+ 207.041798 139.3
[M+H-H2O]+ 151.075900 130.1
[M+HCOO]- 213.076841 154.8
[M+CH3COO]- 227.092491 171.7
[M+Na-2H]- 189.053306 139.9
[M]+ 168.07809142 133.5
[M]- 168.07918858 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