CID 67505318

2460751-30-6

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1C2=C(CN1)NC=CC2=O
InChI
InChI=1S/C7H8N2O/c10-7-1-2-9-6-4-8-3-5(6)7/h1-2,8H,3-4H2,(H,9,10)
InChIKey
AAVDGYGIVMGCDZ-UHFFFAOYSA-N
Compound name
1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

136.06366 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 125.1
[M+Na]+ 159.052878 134.2
[M-H]- 135.056384 124.5
[M+NH4]+ 154.097483 145.8
[M+K]+ 175.026818 130.3
[M+H-H2O]+ 119.060920 119.0
[M+HCOO]- 181.061861 144.4
[M+CH3COO]- 195.077511 138.2
[M+Na-2H]- 157.038326 132.3
[M]+ 136.06311142 120.9
[M]- 136.06420858 120.9
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