CID 210091

20937-44-4

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

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

InChI

InChI=1S/C12H17N/c13-12(8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2

InChIKey

URKHBZBSRIUODL-UHFFFAOYSA-N

Compound name

1-benzylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 175.1361 Da
Monoisotopic Mass: 2.3
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]+	176.143376	139.9
[M+Na]+	198.125318	145.4
[M-H]-	174.128824	145.7
[M+NH4]+	193.169923	162.9
[M+K]+	214.099258	142.3
[M+H-H2O]+	158.133360	133.7
[M+HCOO]-	220.134301	163.3
[M+CH3COO]-	234.149951	180.4
[M+Na-2H]-	196.110766	144.9
[M]+	175.13555142	134.7
[M]-	175.13664858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe