CID 10301

1,4-benzodioxane

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C1COC2=CC=CC=C2O1

InChI

InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2

InChIKey

BNBQRQQYDMDJAH-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 31
References: 37657
Patents: 136.05243 Da
Monoisotopic Mass: 2.0
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]+	137.05971	123.4
[M+Na]+	159.04165	137.6
[M+NH4]+	154.08625	133.7
[M+K]+	175.01559	131.3
[M-H]-	135.04515	129.4
[M+Na-2H]-	157.02710	130.5
[M]+	136.05188	127.3
[M]-	136.05298	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe