CID 50990315

Octahydro-1h-pyrrolo[3,4-c]pyridine-1,3-dione hydrochloride

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1CNCC2C1C(=O)NC2=O
InChI
InChI=1S/C7H10N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h4-5,8H,1-3H2,(H,9,10,11)
InChIKey
NTTSIFKFFVZGMO-UHFFFAOYSA-N
Compound name
3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07423 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 133.0
[M+Na]+ 177.06345 141.9
[M+NH4]+ 172.10805 140.2
[M+K]+ 193.03739 139.2
[M-H]- 153.06695 131.8
[M+Na-2H]- 175.04890 134.4
[M]+ 154.07368 133.4
[M]- 154.07478 133.4
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.