CID 2776174

39270-39-8

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

C1COC2=C(O1)C=CC(=C2)CO

InChI

InChI=1S/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2

InChIKey

FFLHNBGNAWYMRH-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxin-6-ylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 292
Patents: 166.06299 Da
Monoisotopic Mass: 1.0
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]+	167.070266	130.6
[M+Na]+	189.052208	138.1
[M-H]-	165.055714	135.1
[M+NH4]+	184.096813	149.0
[M+K]+	205.026148	138.5
[M+H-H2O]+	149.060250	125.1
[M+HCOO]-	211.061191	149.6
[M+CH3COO]-	225.076841	174.2
[M+Na-2H]-	187.037656	140.8
[M]+	166.06244142	130.6
[M]-	166.06353858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe