CID 41865

1-(chloronitroamino)adamantane

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂O₂

SMILES

C1C2CC3CC1CC(C2)(C3)N([N+](=O)[O-])Cl

InChI

InChI=1S/C10H15ClN2O2/c11-12(13(14)15)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

InChIKey

ZPJPHPCKBZYKGV-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)-N-chloronitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.0822 Da
Monoisotopic Mass: 4.0
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]+	231.08948	144.3
[M+Na]+	253.07142	145.5
[M-H]-	229.07492	140.4
[M+NH4]+	248.11602	168.9
[M+K]+	269.04536	139.9
[M+H-H2O]+	213.07946	144.2
[M+HCOO]-	275.08040	150.6
[M+CH3COO]-	289.09605	195.3
[M+Na-2H]-	251.05687	157.2
[M]+	230.08165	144.7
[M]-	230.08275	144.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.