CID 335498

87774-20-7

Structural Information

Molecular Formula
C8H18N8O2
SMILES
CN1C(=O)N(NC(N1)C2NN(C(=O)N(N2)C)C)C
InChI
InChI=1S/C8H18N8O2/c1-13-7(17)14(2)10-5(9-13)6-11-15(3)8(18)16(4)12-6/h5-6,9-12H,1-4H3
InChIKey
LIHUMEUDJCOHRH-UHFFFAOYSA-N
Compound name
6-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)-2,4-dimethyl-1,2,4,5-tetrazinan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15527 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16255 179.3
[M+Na]+ 281.14449 187.2
[M-H]- 257.14799 170.5
[M+NH4]+ 276.18909 182.9
[M+K]+ 297.11843 180.0
[M+H-H2O]+ 241.15253 169.4
[M+HCOO]- 303.15347 180.7
[M+CH3COO]- 317.16912 191.6
[M+Na-2H]- 279.12994 176.4
[M]+ 258.15472 168.7
[M]- 258.15582 168.7
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.