CID 23009058

Schembl2885293

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CN(C)CC1CCCC1N

InChI

InChI=1S/C8H18N2/c1-10(2)6-7-4-3-5-8(7)9/h7-8H,3-6,9H2,1-2H3

InChIKey

DPRDFTIGFKZCPX-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 142.147 Da
Monoisotopic Mass: 0.5
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]+	143.15428	133.6
[M+Na]+	165.13622	138.5
[M-H]-	141.13972	137.6
[M+NH4]+	160.18082	156.7
[M+K]+	181.11016	138.5
[M+H-H2O]+	125.14426	127.6
[M+HCOO]-	187.14520	158.0
[M+CH3COO]-	201.16085	182.8
[M+Na-2H]-	163.12167	136.1
[M]+	142.14645	129.9
[M]-	142.14755	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe