CID 131494941

2092551-40-9

Structural Information

Molecular Formula
C8H9N3O
SMILES
CN1CC2=C(C1=O)C=CC(=N2)N
InChI
InChI=1S/C8H9N3O/c1-11-4-6-5(8(11)12)2-3-7(9)10-6/h2-3H,4H2,1H3,(H2,9,10)
InChIKey
RTVZPGBNXAAWNB-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.07455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 132.2
[M+Na]+ 186.063768 142.7
[M-H]- 162.067274 134.5
[M+NH4]+ 181.108373 153.2
[M+K]+ 202.037708 139.9
[M+H-H2O]+ 146.071810 125.7
[M+HCOO]- 208.072751 154.6
[M+CH3COO]- 222.088401 180.2
[M+Na-2H]- 184.049216 137.9
[M]+ 163.07400142 131.2
[M]- 163.07509858 131.2
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

patents stripe