CID 47918

1,3-dinitrosoadamantane

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1C2CC3(CC1CC(C2)(C3)N=O)N=O

InChI

InChI=1S/C10H14N2O2/c13-11-9-2-7-1-8(4-9)5-10(3-7,6-9)12-14/h7-8H,1-6H2

InChIKey

NAVUOOISTNZNES-UHFFFAOYSA-N

Compound name

1,3-dinitrosoadamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 0.8
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]+	195.112806	136.5
[M+Na]+	217.094748	140.5
[M-H]-	193.098254	134.8
[M+NH4]+	212.139353	165.1
[M+K]+	233.068688	139.4
[M+H-H2O]+	177.102790	129.6
[M+HCOO]-	239.103731	150.0
[M+CH3COO]-	253.119381	147.5
[M+Na-2H]-	215.080196	152.1
[M]+	194.10498142	139.3
[M]-	194.10607858	139.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.