CID 3052543

68968-10-5

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

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

InChI

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

InChIKey

PAAMSJPFJXVEGL-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 203.1674 Da
Monoisotopic Mass: 3.7
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]+	204.174676	148.8
[M+Na]+	226.156618	151.2
[M-H]-	202.160124	153.5
[M+NH4]+	221.201223	166.6
[M+K]+	242.130558	147.9
[M+H-H2O]+	186.164660	141.4
[M+HCOO]-	248.165601	168.3
[M+CH3COO]-	262.181251	188.1
[M+Na-2H]-	224.142066	152.0
[M]+	203.16685142	141.2
[M]-	203.16794858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe