CID 21857

Cyanuric triazide

Structural Information

Molecular Formula
C3N12
SMILES
C1(=NC(=NC(=N1)N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C3N12/c4-13-10-1-7-2(11-14-5)9-3(8-1)12-15-6
InChIKey
JKYMSKUDZIJFKI-UHFFFAOYSA-N
Compound name
2,4,6-triazido-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

81
Patents

204.03688 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04416 132.8
[M+Na]+ 227.02610 138.8
[M-H]- 203.02960 140.3
[M+NH4]+ 222.07070 146.0
[M+K]+ 243.00004 125.9
[M+H-H2O]+ 187.03414 134.1
[M+HCOO]- 249.03508 170.0
[M+CH3COO]- 263.05073 197.4
[M+Na-2H]- 225.01155 153.6
[M]+ 204.03633 125.7
[M]- 204.03743 125.7
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

patents stripe