CID 146082443

2408957-64-0

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1C2CC1(CN2)N=[N+]=[N-]

InChI

InChI=1S/C5H8N4/c6-9-8-5-1-4(2-5)7-3-5/h4,7H,1-3H2

InChIKey

CXJUGBILRHAHAA-UHFFFAOYSA-N

Compound name

4-azido-2-azabicyclo[2.1.1]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 124.0749 Da
Monoisotopic Mass: 0.9
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]+	125.08218	118.1
[M+Na]+	147.06412	121.6
[M+NH4]+	142.10872	125.6
[M+K]+	163.03806	121.7
[M-H]-	123.06762	115.9
[M+Na-2H]-	145.04957	117.6
[M]+	124.07435	116.4
[M]-	124.07545	116.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.