CID 18507925

1-(4-chlorophenyl)-2-cyclopropylethan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₄ClN

SMILES

C1CC1CC(C2=CC=C(C=C2)Cl)N

InChI

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

InChIKey

XXBWILFWEPHBDY-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-cyclopropylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 195.08148 Da
Monoisotopic Mass: 2.9
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	136.4
[M+Na]+	218.07070	145.2
[M-H]-	194.07420	143.1
[M+NH4]+	213.11530	151.4
[M+K]+	234.04464	140.3
[M+H-H2O]+	178.07874	130.6
[M+HCOO]-	240.07968	156.0
[M+CH3COO]-	254.09533	188.9
[M+Na-2H]-	216.05615	141.4
[M]+	195.08093	138.2
[M]-	195.08203	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe