CID 163296064

4-(azidomethyl)-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C6H10N4
SMILES
C1C2CC1(CN2)CN=[N+]=[N-]
InChI
InChI=1S/C6H10N4/c7-10-9-4-6-1-5(2-6)8-3-6/h5,8H,1-4H2
InChIKey
OZFYPRXIDNVNBU-UHFFFAOYSA-N
Compound name
4-(azidomethyl)-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.09055 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 126.3
[M+Na]+ 161.07977 130.8
[M-H]- 137.08327 127.4
[M+NH4]+ 156.12437 148.1
[M+K]+ 177.05371 128.7
[M+H-H2O]+ 121.08781 121.2
[M+HCOO]- 183.08875 149.4
[M+CH3COO]- 197.10440 179.0
[M+Na-2H]- 159.06522 139.4
[M]+ 138.09000 133.9
[M]- 138.09110 133.9
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

patents stripe