CID 83815301

1,2,3,5-tetrahydroindolizine-1,5-dione

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1CN2C(=O)C=CC=C2C1=O
InChI
InChI=1S/C8H7NO2/c10-7-4-5-9-6(7)2-1-3-8(9)11/h1-3H,4-5H2
InChIKey
IQYKXFGRHNUSPJ-UHFFFAOYSA-N
Compound name
2,3-dihydroindolizine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04768 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 125.2
[M+Na]+ 172.036898 135.8
[M-H]- 148.040404 129.1
[M+NH4]+ 167.081503 148.3
[M+K]+ 188.010838 133.5
[M+H-H2O]+ 132.044940 119.6
[M+HCOO]- 194.045881 148.9
[M+CH3COO]- 208.061531 173.3
[M+Na-2H]- 170.022346 132.3
[M]+ 149.04713142 125.6
[M]- 149.04822858 125.6
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.