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]+ 139.097826 126.3
[M+Na]+ 161.079768 130.8
[M-H]- 137.083274 127.4
[M+NH4]+ 156.124373 148.1
[M+K]+ 177.053708 128.7
[M+H-H2O]+ 121.087810 121.2
[M+HCOO]- 183.088751 149.4
[M+CH3COO]- 197.104401 179.0
[M+Na-2H]- 159.065216 139.4
[M]+ 138.09000142 133.9
[M]- 138.09109858 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