CID 36134310

125802-03-1

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1=CC=C(C=C1)C2(CCCCC2)N

InChI

InChI=1S/C13H19N/c1-11-5-7-12(8-6-11)13(14)9-3-2-4-10-13/h5-8H,2-4,9-10,14H2,1H3

InChIKey

WJYHWINVMQDINN-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 189.15175 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]+	190.159026	144.1
[M+Na]+	212.140968	149.2
[M-H]-	188.144474	149.8
[M+NH4]+	207.185573	165.0
[M+K]+	228.114908	146.0
[M+H-H2O]+	172.149010	137.6
[M+HCOO]-	234.149951	165.0
[M+CH3COO]-	248.165601	184.9
[M+Na-2H]-	210.126416	149.3
[M]+	189.15120142	137.5
[M]-	189.15229858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe