CID 210089

20937-33-1

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CNC1(CCCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H21N/c1-15-14(10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3

InChIKey

HOBAOIJTNQNFFT-UHFFFAOYSA-N

Compound name

1-benzyl-N-methylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.1674 Da
Monoisotopic Mass: 3.4
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]+	204.17468	148.2
[M+Na]+	226.15662	151.9
[M-H]-	202.16012	153.8
[M+NH4]+	221.20122	168.4
[M+K]+	242.13056	148.8
[M+H-H2O]+	186.16466	141.2
[M+HCOO]-	248.16560	169.4
[M+CH3COO]-	262.18125	187.5
[M+Na-2H]-	224.14207	154.6
[M]+	203.16685	142.5
[M]-	203.16795	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe