CID 267531

18505-91-4

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

C1C(OC2=CC=CC=C2O1)CC#N

InChI

InChI=1S/C10H9NO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5,7H2

InChIKey

PWZFEIJALHLRKF-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 198
Patents: 175.06332 Da
Monoisotopic Mass: 1.4
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]+	176.07060	140.8
[M+Na]+	198.05254	153.8
[M+NH4]+	193.09714	146.6
[M+K]+	214.02648	144.2
[M-H]-	174.05604	138.5
[M+Na-2H]-	196.03799	143.8
[M]+	175.06277	141.3
[M]-	175.06387	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe