CID 89512

21544-02-5

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CC(C(C1)N)CN

InChI

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

InChIKey

SRGQQZYVZFJYHJ-UHFFFAOYSA-N

Compound name

2-(aminomethyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 373
Patents: 114.1157 Da
Monoisotopic Mass: 0.1
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]+	115.12298	124.1
[M+Na]+	137.10492	129.7
[M-H]-	113.10842	126.4
[M+NH4]+	132.14952	147.4
[M+K]+	153.07886	128.4
[M+H-H2O]+	97.112960	118.6
[M+HCOO]-	159.11390	148.1
[M+CH3COO]-	173.12955	172.6
[M+Na-2H]-	135.09037	127.4
[M]+	114.11515	117.4
[M]-	114.11625	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe