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: 18
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]+	175.086596	130.5
[M+Na]+	197.068538	138.2
[M-H]-	173.072044	133.4
[M+NH4]+	192.113143	140.9
[M+K]+	213.042478	138.7
[M+H-H2O]+	157.076580	112.7
[M+HCOO]-	219.077521	147.2
[M+CH3COO]-	233.093171	192.5
[M+Na-2H]-	195.053986	136.7
[M]+	174.07877142	131.4
[M]-	174.07986858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe