CID 28971

Refchem:1050835

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CC(C1CN)CN

InChI

InChI=1S/C6H14N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-4,7-8H2

InChIKey

ZBLACDIKXKCJGF-UHFFFAOYSA-N

Compound name

[2-(aminomethyl)cyclobutyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 266
Patents: 114.1157 Da
Monoisotopic Mass: -0.7
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	126.3
[M+Na]+	137.104918	130.8
[M-H]-	113.108424	128.8
[M+NH4]+	132.149523	141.4
[M+K]+	153.078858	132.9
[M+H-H2O]+	97.112960	115.3
[M+HCOO]-	159.113901	148.8
[M+CH3COO]-	173.129551	178.1
[M+Na-2H]-	135.090366	130.4
[M]+	114.11515142	130.0
[M]-	114.11624858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe