CID 15956145

3-(adamantan-1-yl)-1-ethylguanidine

Structural Information

Molecular Formula

C₁₃H₂₃N₃

SMILES

CCN=C(N)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)

InChIKey

VGBFQSVFIIHEDN-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-2-ethylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 221.1892 Da
Monoisotopic Mass: 2.1
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]+	222.19648	150.2
[M+Na]+	244.17842	156.5
[M+NH4]+	239.22302	162.6
[M+K]+	260.15236	147.5
[M-H]-	220.18192	149.8
[M+Na-2H]-	242.16387	147.5
[M]+	221.18865	150.7
[M]-	221.18975	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.