CID 96255

88552-69-6

Structural Information

Molecular Formula
C7H10N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NN
InChI
InChI=1S/C7H10N6O2/c1-12-4-3(9-6(10-4)11-8)5(14)13(2)7(12)15/h8H2,1-2H3,(H2,9,10,11)
InChIKey
VDUMLSGFIWJPIK-UHFFFAOYSA-N
Compound name
8-hydrazinyl-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.08652 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09380 143.7
[M+Na]+ 233.07574 157.3
[M-H]- 209.07924 143.7
[M+NH4]+ 228.12034 159.6
[M+K]+ 249.04968 152.7
[M+H-H2O]+ 193.08378 136.1
[M+HCOO]- 255.08472 166.3
[M+CH3COO]- 269.10037 189.5
[M+Na-2H]- 231.06119 150.1
[M]+ 210.08597 145.2
[M]- 210.08707 145.2
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.