CID 3066906

2-benzyl-1-methylcyclopentylamine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1(CCCC1CC2=CC=CC=C2)N

InChI

InChI=1S/C13H19N/c1-13(14)9-5-8-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3

InChIKey

JMJIJLOBXPIORO-UHFFFAOYSA-N

Compound name

2-benzyl-1-methylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.15175 Da
Monoisotopic Mass: 2.6
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]+	190.15903	145.0
[M+Na]+	212.14097	156.2
[M+NH4]+	207.18557	156.2
[M+K]+	228.11491	148.5
[M-H]-	188.14447	149.9
[M+Na-2H]-	210.12642	153.8
[M]+	189.15120	148.1
[M]-	189.15230	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe