CID 24259229

1-[(4-fluorophenyl)methyl]cyclohexan-1-amine

Structural Information

Molecular Formula

C₁₃H₁₈FN

SMILES

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

InChI

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

InChIKey

LECVHPJSUFTKJP-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.14233 Da
Monoisotopic Mass: 3.0
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	147.2
[M+Na]+	230.131548	152.3
[M-H]-	206.135054	151.3
[M+NH4]+	225.176153	167.2
[M+K]+	246.105488	148.6
[M+H-H2O]+	190.139590	139.6
[M+HCOO]-	252.140531	167.0
[M+CH3COO]-	266.156181	187.6
[M+Na-2H]-	228.116996	151.7
[M]+	207.14178142	139.4
[M]-	207.14287858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe