CID 16729376

6-allyl-1,3-benzodioxol-4-ol

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C=CCC1=CC(=C2C(=C1)OCO2)O

InChI

InChI=1S/C10H10O3/c1-2-3-7-4-8(11)10-9(5-7)12-6-13-10/h2,4-5,11H,1,3,6H2

InChIKey

QGEYIXASTJQWPW-UHFFFAOYSA-N

Compound name

6-prop-2-enyl-1,3-benzodioxol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 178.06299 Da
Monoisotopic Mass: 2.5
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]+	179.07027	134.6
[M+Na]+	201.05221	143.8
[M-H]-	177.05571	139.5
[M+NH4]+	196.09681	154.6
[M+K]+	217.02615	143.1
[M+H-H2O]+	161.06025	130.2
[M+HCOO]-	223.06119	155.5
[M+CH3COO]-	237.07684	177.2
[M+Na-2H]-	199.03766	142.0
[M]+	178.06244	136.8
[M]-	178.06354	136.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.