CID 22456202

1228878-71-4

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

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

InChI

InChI=1S/C10H12ClN/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5H,1,6-7,12H2

InChIKey

BIUYXIXKGQWDNE-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 181.06583 Da
Monoisotopic Mass: 2.1
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	133.0
[M+Na]+	204.05505	142.3
[M+NH4]+	199.09965	140.8
[M+K]+	220.02899	134.9
[M-H]-	180.05855	135.3
[M+Na-2H]-	202.04050	141.0
[M]+	181.06528	134.3
[M]-	181.06638	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe