CID 59661

1-(1-adamantyl)-aziridine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

C1CN1C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C12H19N/c1-2-13(1)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2

InChIKey

BDTPMEOQGIXSBL-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)aziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 177.15175 Da
Monoisotopic Mass: 2.7
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]+	178.15903	144.6
[M+Na]+	200.14097	149.3
[M-H]-	176.14447	142.5
[M+NH4]+	195.18557	164.9
[M+K]+	216.11491	145.4
[M+H-H2O]+	160.14901	136.3
[M+HCOO]-	222.14995	150.3
[M+CH3COO]-	236.16560	153.3
[M+Na-2H]-	198.12642	155.0
[M]+	177.15120	145.2
[M]-	177.15230	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe