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]+ 164.08183 132.2
[M+Na]+ 186.06377 142.7
[M-H]- 162.06727 134.5
[M+NH4]+ 181.10837 153.2
[M+K]+ 202.03771 139.9
[M+H-H2O]+ 146.07181 125.7
[M+HCOO]- 208.07275 154.6
[M+CH3COO]- 222.08840 180.2
[M+Na-2H]- 184.04922 137.9
[M]+ 163.07400 131.2
[M]- 163.07510 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