CID 221882

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

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CC(C1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C9H10O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4,6,10H,5H2,1H3

InChIKey

ZHKALZZEGVFZQA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 288
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]+	167.07027	131.8
[M+Na]+	189.05221	139.9
[M-H]-	165.05571	136.6
[M+NH4]+	184.09681	152.1
[M+K]+	205.02615	140.6
[M+H-H2O]+	149.06025	127.4
[M+HCOO]-	211.06119	151.9
[M+CH3COO]-	225.07684	174.7
[M+Na-2H]-	187.03766	139.2
[M]+	166.06244	133.3
[M]-	166.06354	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe