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

2
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 132.6
[M+Na]+ 177.06345 139.6
[M-H]- 153.06695 131.1
[M+NH4]+ 172.10805 152.3
[M+K]+ 193.03739 136.2
[M+H-H2O]+ 137.07149 126.6
[M+HCOO]- 199.07243 147.7
[M+CH3COO]- 213.08808 169.1
[M+Na-2H]- 175.04890 135.9
[M]+ 154.07368 125.1
[M]- 154.07478 125.1
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