CID 39498

1-(nitroamino)adamantane

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C10H16N2O2/c13-12(14)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

InChIKey

WVRNBJYPGUJEEC-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)nitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 196.12119 Da
Monoisotopic Mass: 3.2
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]+	197.12847	137.5
[M+Na]+	219.11041	146.4
[M+NH4]+	214.15501	150.4
[M+K]+	235.08435	140.2
[M-H]-	195.11391	137.4
[M+Na-2H]-	217.09586	135.7
[M]+	196.12064	138.6
[M]-	196.12174	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe