CID 22315744

N1-(adamantan-2-yl)ethane-1,2-diamine

Structural Information

Molecular Formula

C₁₂H₂₂N₂

SMILES

C1C2CC3CC1CC(C2)C3NCCN

InChI

InChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2

InChIKey

LSZAYCTUPPKNOV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 194.1783 Da
Monoisotopic Mass: 1.2
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	140.5
[M+Na]+	217.16752	148.3
[M+NH4]+	212.21212	152.2
[M+K]+	233.14146	140.7
[M-H]-	193.17102	140.1
[M+Na-2H]-	215.15297	136.9
[M]+	194.17775	141.2
[M]-	194.17885	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe