CID 303798

N-(1-adamantyl)ethylenediamine

Structural Information

Molecular Formula

C₁₂H₂₂N₂

SMILES

C1C2CC3CC1CC(C2)(C3)NCCN

InChI

InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2

InChIKey

IQMUFNISQFPZJC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 43
Patents: 194.1783 Da
Monoisotopic Mass: 1.5
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]+	195.18558	143.7
[M+Na]+	217.16752	151.3
[M+NH4]+	212.21212	156.8
[M+K]+	233.14146	141.7
[M-H]-	193.17102	143.2
[M+Na-2H]-	215.15297	141.5
[M]+	194.17775	144.6
[M]-	194.17885	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe