CID 24274026

1-(3-chlorophenyl)cyclopentan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₄ClN

SMILES

C1CCC(C1)(C2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C11H14ClN/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8H,1-2,6-7,13H2

InChIKey

YOBFSMIZMFYSRN-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 195.08148 Da
Monoisotopic Mass: 2.5
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]+	196.08876	142.9
[M+Na]+	218.07070	150.6
[M-H]-	194.07420	148.9
[M+NH4]+	213.11530	166.2
[M+K]+	234.04464	145.6
[M+H-H2O]+	178.07874	137.7
[M+HCOO]-	240.07968	162.0
[M+CH3COO]-	254.09533	156.1
[M+Na-2H]-	216.05615	147.1
[M]+	195.08093	139.7
[M]-	195.08203	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe