CID 357114

1-azidoadamantane

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

C1C2CC3CC1CC(C2)(C3)N=[N+]=[N-]

InChI

InChI=1S/C10H15N3/c11-13-12-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

InChIKey

JOMZSYXWYOVFEE-UHFFFAOYSA-N

Compound name

1-azidoadamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 214
Patents: 177.1266 Da
Monoisotopic Mass: 3.8
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]+	178.133876	128.3
[M+Na]+	200.115818	129.9
[M-H]-	176.119324	126.2
[M+NH4]+	195.160423	154.9
[M+K]+	216.089758	123.9
[M+H-H2O]+	160.123860	126.1
[M+HCOO]-	222.124801	143.3
[M+CH3COO]-	236.140451	192.0
[M+Na-2H]-	198.101266	144.7
[M]+	177.12605142	125.4
[M]-	177.12714858	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe