CID 3080210

2,4-diazido-6-cyanomethoxy-s-triazine

Structural Information

Molecular Formula
C5H2N10O
SMILES
C(C#N)OC1=NC(=NC(=N1)N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C5H2N10O/c6-1-2-16-5-10-3(12-14-7)9-4(11-5)13-15-8/h2H2
InChIKey
KWRLEOAKBSAONN-UHFFFAOYSA-N
Compound name
2-[(4,6-diazido-1,3,5-triazin-2-yl)oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0413 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04858 145.3
[M+Na]+ 241.03052 152.2
[M-H]- 217.03402 148.2
[M+NH4]+ 236.07512 156.5
[M+K]+ 257.00446 144.5
[M+H-H2O]+ 201.03856 135.8
[M+HCOO]- 263.03950 173.0
[M+CH3COO]- 277.05515 205.3
[M+Na-2H]- 239.01597 159.5
[M]+ 218.04075 136.7
[M]- 218.04185 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.