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: 42
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]+	190.15903	145.7
[M+Na]+	212.14097	157.8
[M+NH4]+	207.18557	157.2
[M+K]+	228.11491	147.7
[M-H]-	188.14447	151.4
[M+Na-2H]-	210.12642	155.7
[M]+	189.15120	149.2
[M]-	189.15230	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe