CID 24902337

3-(azetidin-3-yloxy)benzonitrile hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1C(CN1)OC2=CC=CC(=C2)C#N

InChI

InChI=1S/C10H10N2O/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10/h1-4,10,12H,6-7H2

InChIKey

XAPUJMUHHTZKLO-UHFFFAOYSA-N

Compound name

3-(azetidin-3-yloxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 174.07932 Da
Monoisotopic Mass: 1.0
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]+	175.08660	139.3
[M+Na]+	197.06854	147.3
[M+NH4]+	192.11314	140.8
[M+K]+	213.04248	139.7
[M-H]-	173.07204	132.4
[M+Na-2H]-	195.05399	141.8
[M]+	174.07877	136.6
[M]-	174.07987	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe