CID 16780539

3-[(2-chlorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

C1C(CN1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C10H12ClN/c11-10-4-2-1-3-9(10)5-8-6-12-7-8/h1-4,8,12H,5-7H2

InChIKey

IJGDFXWDQVGNID-UHFFFAOYSA-N

Compound name

3-[(2-chlorophenyl)methyl]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.06583 Da
Monoisotopic Mass: 2.4
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]+	182.07311	131.3
[M+Na]+	204.05505	141.2
[M+NH4]+	199.09965	137.2
[M+K]+	220.02899	135.4
[M-H]-	180.05855	132.2
[M+Na-2H]-	202.04050	137.7
[M]+	181.06528	132.1
[M]-	181.06638	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe