CID 210093

19166-01-9

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CNC1(CCCC1)CC2=CC=CC=C2

InChI

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

InChIKey

ZFAGGXZFXYOEDA-UHFFFAOYSA-N

Compound name

1-benzyl-N-methylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 189.15175 Da
Monoisotopic Mass: 2.8
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	143.8
[M+Na]+	212.14097	148.9
[M-H]-	188.14447	149.9
[M+NH4]+	207.18557	166.5
[M+K]+	228.11491	145.9
[M+H-H2O]+	172.14901	137.4
[M+HCOO]-	234.14995	167.6
[M+CH3COO]-	248.16560	184.1
[M+Na-2H]-	210.12642	149.3
[M]+	189.15120	140.0
[M]-	189.15230	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe