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]+ 166.06111 129.9
[M+Na]+ 188.04305 143.0
[M-H]- 164.04655 129.4
[M+NH4]+ 183.08765 148.7
[M+K]+ 204.01699 138.3
[M+H-H2O]+ 148.05109 123.4
[M+HCOO]- 210.05203 151.0
[M+CH3COO]- 224.06768 143.8
[M+Na-2H]- 186.02850 137.4
[M]+ 165.05328 130.6
[M]- 165.05438 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.