CID 106854

67828-36-8

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC(C1=C(C=C(C=C1)O)O)O

InChI

InChI=1S/C8H10O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-5,9-11H,1H3

InChIKey

DUNRSBLUMXLQPE-UHFFFAOYSA-N

Compound name

4-(1-hydroxyethyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 154.06299 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.07027	130.1
[M+Na]+	177.05221	141.6
[M+NH4]+	172.09681	137.6
[M+K]+	193.02615	137.5
[M-H]-	153.05571	130.4
[M+Na-2H]-	175.03766	135.1
[M]+	154.06244	131.6
[M]-	154.06354	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe