CID 47917

4,8-adamantanedione, dioxime

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1C2CC3CC(C2=NO)CC1C3=NO

InChI

InChI=1S/C10H14N2O2/c13-11-9-5-1-6-3-8(9)4-7(2-5)10(6)12-14/h5-8,13-14H,1-4H2

InChIKey

NYGLLRJOWDJUFD-UHFFFAOYSA-N

Compound name

N-(6-hydroxyimino-2-adamantylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 194.10553 Da
Monoisotopic Mass: 1.0
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]+	195.11281	136.6
[M+Na]+	217.09475	139.4
[M-H]-	193.09825	132.5
[M+NH4]+	212.13935	160.8
[M+K]+	233.06869	137.4
[M+H-H2O]+	177.10279	131.7
[M+HCOO]-	239.10373	147.5
[M+CH3COO]-	253.11938	146.3
[M+Na-2H]-	215.08020	148.7
[M]+	194.10498	136.1
[M]-	194.10608	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe