CID 71304118

Azetidin-3-yl(phenyl)methanone hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1C(CN1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO/c12-10(9-6-11-7-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2

InChIKey

PQYNJIDNMNODOE-UHFFFAOYSA-N

Compound name

azetidin-3-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 161.08406 Da
Monoisotopic Mass: 0.9
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]+	162.091336	131.8
[M+Na]+	184.073278	136.9
[M-H]-	160.076784	135.3
[M+NH4]+	179.117883	143.7
[M+K]+	200.047218	137.2
[M+H-H2O]+	144.081320	119.8
[M+HCOO]-	206.082261	151.0
[M+CH3COO]-	220.097911	178.1
[M+Na-2H]-	182.058726	137.6
[M]+	161.08351142	136.6
[M]-	161.08460858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe