CID 58842662

(1-benzylcyclohexyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

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

InChI

InChI=1S/C14H21N/c15-12-14(9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12,15H2

InChIKey

SHPHAKYTGBPREH-UHFFFAOYSA-N

Compound name

(1-benzylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 203.1674 Da
Monoisotopic Mass: 3.5
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	150.2
[M+Na]+	226.15662	162.1
[M+NH4]+	221.20122	161.6
[M+K]+	242.13056	151.7
[M-H]-	202.16012	155.9
[M+Na-2H]-	224.14207	160.0
[M]+	203.16685	153.7
[M]-	203.16795	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe