CID 357115

2-azidoadamantane

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

C1C2CC3CC1CC(C2)C3N=[N+]=[N-]

InChI

InChI=1S/C10H15N3/c11-13-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

InChIKey

DBMHNOXGUUDEPE-UHFFFAOYSA-N

Compound name

2-azidoadamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 177.1266 Da
Monoisotopic Mass: 3.5
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]+	178.13388	128.2
[M+Na]+	200.11582	129.4
[M-H]-	176.11932	126.2
[M+NH4]+	195.16042	153.1
[M+K]+	216.08976	123.7
[M+H-H2O]+	160.12386	126.5
[M+HCOO]-	222.12480	143.2
[M+CH3COO]-	236.14045	193.6
[M+Na-2H]-	198.10127	143.2
[M]+	177.12605	125.4
[M]-	177.12715	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe