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: 11
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	135.1
[M+Na]+	219.11041	135.9
[M-H]-	195.11391	130.4
[M+NH4]+	214.15501	159.8
[M+K]+	235.08435	130.3
[M+H-H2O]+	179.11845	134.0
[M+HCOO]-	241.11939	145.3
[M+CH3COO]-	255.13504	188.4
[M+Na-2H]-	217.09586	149.8
[M]+	196.12064	132.6
[M]-	196.12174	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe