CID 391735

3717-41-7

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

C[N+](C)(C12CC3CC(C1)CC(C3)C2)[O-]

InChI

InChI=1S/C12H21NO/c1-13(2,14)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3

InChIKey

IYWIVICINGQCIS-UHFFFAOYSA-N

Compound name

N,N-dimethyladamantan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 195.16231 Da
Monoisotopic Mass: 2.4
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]+	196.169586	143.8
[M+Na]+	218.151528	145.1
[M-H]-	194.155034	139.3
[M+NH4]+	213.196133	169.5
[M+K]+	234.125468	138.7
[M+H-H2O]+	178.159570	143.0
[M+HCOO]-	240.160511	151.4
[M+CH3COO]-	254.176161	188.2
[M+Na-2H]-	216.136976	158.1
[M]+	195.16176142	141.5
[M]-	195.16285858	141.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.