CID 53256991

3-(3-chlorophenyl)oxetan-3-amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

C1C(CO1)(C2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C9H10ClNO/c10-8-3-1-2-7(4-8)9(11)5-12-6-9/h1-4H,5-6,11H2

InChIKey

RIWUKKHBJOMCEL-UHFFFAOYSA-N

Compound name

3-(3-chlorophenyl)oxetan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 183.04509 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]+	184.05237	131.6
[M+Na]+	206.03431	140.9
[M+NH4]+	201.07891	138.8
[M+K]+	222.00825	134.6
[M-H]-	182.03781	134.7
[M+Na-2H]-	204.01976	138.9
[M]+	183.04454	133.1
[M]-	183.04564	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe