CID 210087

20937-30-8

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

C1CCC(CC1)(CC2=CC=CC=C2)N

InChI

InChI=1S/C13H19N/c14-13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2

InChIKey

SXEPDZQVJGZPGF-UHFFFAOYSA-N

Compound name

1-benzylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 43
Patents: 189.15175 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]+	190.159026	144.5
[M+Na]+	212.140968	148.6
[M-H]-	188.144474	149.7
[M+NH4]+	207.185573	165.0
[M+K]+	228.114908	145.4
[M+H-H2O]+	172.149010	137.7
[M+HCOO]-	234.149951	165.4
[M+CH3COO]-	248.165601	183.8
[M+Na-2H]-	210.126416	150.3
[M]+	189.15120142	137.5
[M]-	189.15229858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe