CID 437580

114794-30-8

Structural Information

Molecular Formula
C7H8N4O
SMILES
CC1=C(N=C2C(=N1)C(=O)NN2)C
InChI
InChI=1S/C7H8N4O/c1-3-4(2)9-6-5(8-3)7(12)11-10-6/h1-2H3,(H2,9,10,11,12)
InChIKey
YYDKODLMBYYMRY-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1,2-dihydropyrazolo[3,4-b]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

164.06981 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 133.1
[M+Na]+ 187.059028 146.2
[M-H]- 163.062534 131.2
[M+NH4]+ 182.103633 150.7
[M+K]+ 203.032968 141.3
[M+H-H2O]+ 147.067070 126.0
[M+HCOO]- 209.068011 152.5
[M+CH3COO]- 223.083661 146.4
[M+Na-2H]- 185.044476 140.4
[M]+ 164.06926142 133.6
[M]- 164.07035858 133.6
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

No patent data available for this compound.