CID 3010123

Akos004117833

Structural Information

Molecular Formula

C₁₃H₂₄N₂

SMILES

CN(CCN)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C13H24N2/c1-15(3-2-14)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,2-9,14H2,1H3

InChIKey

KZBHJFIJZWGROW-UHFFFAOYSA-N

Compound name

N'-(1-adamantyl)-N'-methylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 208.19395 Da
Monoisotopic Mass: 2.0
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]+	209.20123	150.1
[M+Na]+	231.18317	150.6
[M-H]-	207.18667	145.7
[M+NH4]+	226.22777	175.5
[M+K]+	247.15711	148.4
[M+H-H2O]+	191.19121	143.7
[M+HCOO]-	253.19215	158.8
[M+CH3COO]-	267.20780	158.4
[M+Na-2H]-	229.16862	160.0
[M]+	208.19340	148.5
[M]-	208.19450	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.