CID 43146541

1803598-02-8

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂N

SMILES

C1CC(C1)(C2=C(C=CC=C2Cl)Cl)N

InChI

InChI=1S/C10H11Cl2N/c11-7-3-1-4-8(12)9(7)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2

InChIKey

YYUUNOCEQOWASP-UHFFFAOYSA-N

Compound name

1-(2,6-dichlorophenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 215.02686 Da
Monoisotopic Mass: 2.7
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]+	216.034136	137.9
[M+Na]+	238.016078	146.9
[M-H]-	214.019584	143.5
[M+NH4]+	233.060683	153.3
[M+K]+	253.990018	143.7
[M+H-H2O]+	198.024120	129.5
[M+HCOO]-	260.025061	151.6
[M+CH3COO]-	274.040711	190.1
[M+Na-2H]-	236.001526	143.3
[M]+	215.02631142	146.3
[M]-	215.02740858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe