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]+ 137.07094 125.7
[M+Na]+ 159.05288 137.5
[M+NH4]+ 154.09748 134.0
[M+K]+ 175.02682 133.6
[M-H]- 135.05638 125.8
[M+Na-2H]- 157.03833 130.7
[M]+ 136.06311 127.1
[M]- 136.06421 127.1
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