CID 18999642

(1-benzylcyclopentyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

C1CCC(C1)(CC2=CC=CC=C2)CN

InChI

InChI=1S/C13H19N/c14-11-13(8-4-5-9-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,14H2

InChIKey

IMAMHYBLHFHFRI-UHFFFAOYSA-N

Compound name

(1-benzylcyclopentyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 189.15175 Da
Monoisotopic Mass: 2.9
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	145.7
[M+Na]+	212.14097	156.6
[M+NH4]+	207.18557	156.9
[M+K]+	228.11491	148.6
[M-H]-	188.14447	150.6
[M+Na-2H]-	210.12642	154.7
[M]+	189.15120	148.7
[M]-	189.15230	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe