CID 4722373

46425-73-4

Structural Information

Molecular Formula

C₁₃H₁₈ClN

SMILES

C1CCC(CC1)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C13H18ClN/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

LMTAAEZJLLIHMH-UHFFFAOYSA-N

Compound name

N-[(2-chlorophenyl)methyl]cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.11278 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]+	224.12006	150.7
[M+Na]+	246.10200	155.5
[M-H]-	222.10550	156.0
[M+NH4]+	241.14660	169.1
[M+K]+	262.07594	150.5
[M+H-H2O]+	206.11004	144.1
[M+HCOO]-	268.11098	167.5
[M+CH3COO]-	282.12663	189.8
[M+Na-2H]-	244.08745	155.3
[M]+	223.11223	146.9
[M]-	223.11333	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe