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: 31
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	129.9
[M+Na]+	177.05221	138.0
[M-H]-	153.05571	130.3
[M+NH4]+	172.09681	149.4
[M+K]+	193.02615	135.8
[M+H-H2O]+	137.06025	125.4
[M+HCOO]-	199.06119	150.0
[M+CH3COO]-	213.07684	169.8
[M+Na-2H]-	175.03766	134.5
[M]+	154.06244	128.3
[M]-	154.06354	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe