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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.082176 121.5
[M+Na]+ 147.064118 126.4
[M-H]- 123.067624 122.7
[M+NH4]+ 142.108723 143.8
[M+K]+ 163.038058 124.5
[M+H-H2O]+ 107.072160 116.6
[M+HCOO]- 169.073101 145.0
[M+CH3COO]- 183.088751 176.1
[M+Na-2H]- 145.049566 135.1
[M]+ 124.07435142 128.8
[M]- 124.07544858 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.