CID 4719195

N-[(2-fluorophenyl)methyl]cyclohexanamine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₈FN

SMILES

C1CCC(CC1)NCC2=CC=CC=C2F

InChI

InChI=1S/C13H18FN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2

InChIKey

VKSCCGGJVYKRRN-UHFFFAOYSA-N

Compound name

N-[(2-fluorophenyl)methyl]cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.14233 Da
Monoisotopic Mass: 3.2
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]+	208.149606	146.1
[M+Na]+	230.131548	150.2
[M-H]-	206.135054	150.3
[M+NH4]+	225.176153	164.3
[M+K]+	246.105488	146.6
[M+H-H2O]+	190.139590	137.9
[M+HCOO]-	252.140531	166.5
[M+CH3COO]-	266.156181	188.7
[M+Na-2H]-	228.116996	150.7
[M]+	207.14178142	139.0
[M]-	207.14287858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe