CID 132344155

2137936-74-2

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1C2=C(C(=O)N1)N=CC(=C2)N
InChI
InChI=1S/C7H7N3O/c8-5-1-4-2-10-7(11)6(4)9-3-5/h1,3H,2,8H2,(H,10,11)
InChIKey
RWLZVLRWZUUPAQ-UHFFFAOYSA-N
Compound name
3-amino-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05891 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 127.9
[M+Na]+ 172.048128 137.5
[M-H]- 148.051634 128.5
[M+NH4]+ 167.092733 148.4
[M+K]+ 188.022068 134.0
[M+H-H2O]+ 132.056170 121.5
[M+HCOO]- 194.057111 149.1
[M+CH3COO]- 208.072761 141.3
[M+Na-2H]- 170.033576 134.4
[M]+ 149.05836142 124.3
[M]- 149.05945858 124.3
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.