CID 199818

5062-66-8

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CCC(C1)(CN)N

InChI

InChI=1S/C6H14N2/c7-5-6(8)3-1-2-4-6/h1-5,7-8H2

InChIKey

YKGDAMWMFVRGDH-UHFFFAOYSA-N

Compound name

1-(aminomethyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 467
Patents: 114.1157 Da
Monoisotopic Mass: -0.6
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]+	115.122976	123.4
[M+Na]+	137.104918	129.1
[M-H]-	113.108424	125.7
[M+NH4]+	132.149523	148.4
[M+K]+	153.078858	127.9
[M+H-H2O]+	97.112960	118.6
[M+HCOO]-	159.113901	147.4
[M+CH3COO]-	173.129551	171.0
[M+Na-2H]-	135.090366	128.7
[M]+	114.11515142	116.7
[M]-	114.11624858	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe