CID 43632388

1795069-42-9

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

C1C(CC1N)C2=CC=C(C=C2)Cl

InChI

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

InChIKey

GQPGXNZYFZMGHW-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 181.06583 Da
Monoisotopic Mass: 2.2
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]+	182.073106	133.1
[M+Na]+	204.055048	140.7
[M-H]-	180.058554	139.2
[M+NH4]+	199.099653	147.4
[M+K]+	220.028988	139.2
[M+H-H2O]+	164.063090	122.8
[M+HCOO]-	226.064031	151.7
[M+CH3COO]-	240.079681	186.0
[M+Na-2H]-	202.040496	138.2
[M]+	181.06528142	140.3
[M]-	181.06637858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe