CID 50989022

1305712-64-4

Structural Information

Molecular Formula
C7H7N3O2
SMILES
CN1C2=C(C(=O)C=CN2)C(=O)N1
InChI
InChI=1S/C7H7N3O2/c1-10-6-5(7(12)9-10)4(11)2-3-8-6/h2-3H,1H3,(H,8,11)(H,9,12)
InChIKey
YDYTWQBSACHSPC-UHFFFAOYSA-N
Compound name
1-methyl-2,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 129.9
[M+Na]+ 188.043048 143.0
[M-H]- 164.046554 129.4
[M+NH4]+ 183.087653 148.7
[M+K]+ 204.016988 138.3
[M+H-H2O]+ 148.051090 123.4
[M+HCOO]- 210.052031 151.0
[M+CH3COO]- 224.067681 143.8
[M+Na-2H]- 186.028496 137.4
[M]+ 165.05328142 130.6
[M]- 165.05437858 130.6
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.