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

literature stripe

Patent stripe

patents stripe