CID 368769

Nsc639965

Structural Information

Molecular Formula
C8H8N10O2
SMILES
C(CCC1=NN=C(O1)N=[N+]=[N-])CC2=NN=C(O2)N=[N+]=[N-]
InChI
InChI=1S/C8H8N10O2/c9-17-15-7-13-11-5(19-7)3-1-2-4-6-12-14-8(20-6)16-18-10/h1-4H2
InChIKey
WVXKFLNEVJFVOS-UHFFFAOYSA-N
Compound name
2-azido-5-[4-(5-azido-1,3,4-oxadiazol-2-yl)butyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08316 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09044 159.9
[M+Na]+ 299.07238 166.6
[M-H]- 275.07588 168.8
[M+NH4]+ 294.11698 170.6
[M+K]+ 315.04632 157.8
[M+H-H2O]+ 259.08042 156.4
[M+HCOO]- 321.08136 193.3
[M+CH3COO]- 335.09701 203.3
[M+Na-2H]- 297.05783 176.1
[M]+ 276.08261 160.2
[M]- 276.08371 160.2
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.