CID 2759846

2-(1,3-dioxaindan-5-yl)ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

C1OC2=C(O1)C=C(C=C2)CCO

InChI

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

InChIKey

JADSGOFBFPTCHG-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 319
Patents: 166.06299 Da
Monoisotopic Mass: 1.5
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	130.9
[M+Na]+	189.052208	139.3
[M-H]-	165.055714	135.6
[M+NH4]+	184.096813	151.2
[M+K]+	205.026148	139.5
[M+H-H2O]+	149.060250	126.4
[M+HCOO]-	211.061191	152.1
[M+CH3COO]-	225.076841	173.8
[M+Na-2H]-	187.037656	139.6
[M]+	166.06244142	133.1
[M]-	166.06353858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe