CID 357108

Nsc614993

Structural Information

Molecular Formula

C₁₂H₁₉N₃

SMILES

CC12CC3CC(C1)(CC(C3)(C2)N=[N+]=[N-])C

InChI

InChI=1S/C12H19N3/c1-10-3-9-4-11(2,6-10)8-12(5-9,7-10)14-15-13/h9H,3-8H2,1-2H3

InChIKey

YRFQAPSVRBSXEB-UHFFFAOYSA-N

Compound name

1-azido-3,5-dimethyladamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.1579 Da
Monoisotopic Mass: 4.6
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]+	206.16518	139.1
[M+Na]+	228.14712	142.2
[M-H]-	204.15062	137.1
[M+NH4]+	223.19172	168.3
[M+K]+	244.12106	135.4
[M+H-H2O]+	188.15516	135.8
[M+HCOO]-	250.15610	153.0
[M+CH3COO]-	264.17175	197.3
[M+Na-2H]-	226.13257	155.7
[M]+	205.15735	137.5
[M]-	205.15845	137.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.