CID 74451

Tetraformaltrisazine

Structural Information

Molecular Formula
C4H12N6
SMILES
C1NNCN2N1CNNC2
InChI
InChI=1S/C4H12N6/c1-5-6-3-10-4-8-7-2-9(1)10/h5-8H,1-4H2
InChIKey
RRIGVQQUVAETIG-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9-octahydro-[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

125
Patents

144.11235 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.119626 138.6
[M+Na]+ 167.101568 143.2
[M-H]- 143.105074 128.1
[M+NH4]+ 162.146173 149.3
[M+K]+ 183.075508 138.1
[M+H-H2O]+ 127.109610 129.4
[M+HCOO]- 189.110551 143.3
[M+CH3COO]- 203.126201 145.3
[M+Na-2H]- 165.087016 144.9
[M]+ 144.11180142 124.4
[M]- 144.11289858 124.4
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