CID 21151

5062-68-0

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

C1CCCC(CC1)(CN)N

InChI

InChI=1S/C8H18N2/c9-7-8(10)5-3-1-2-4-6-8/h1-7,9-10H2

InChIKey

NVOUFFPIQCIEDT-UHFFFAOYSA-N

Compound name

1-(aminomethyl)cycloheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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]+	143.154276	129.4
[M+Na]+	165.136218	131.4
[M-H]-	141.139724	132.3
[M+NH4]+	160.180823	149.8
[M+K]+	181.110158	134.1
[M+H-H2O]+	125.144260	124.0
[M+HCOO]-	187.145201	149.7
[M+CH3COO]-	201.160851	179.4
[M+Na-2H]-	163.121666	134.2
[M]+	142.14645142	118.5
[M]-	142.14754858	118.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe