CID 71893

Rolziracetam

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC(=O)N2C1CCC2=O
InChI
InChI=1S/C7H9NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5H,1-4H2
InChIKey
IEZDOKQWPWZVQF-UHFFFAOYSA-N
Compound name
2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

310
Patents

139.06332 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 127.5
[M+Na]+ 162.05254 136.2
[M-H]- 138.05604 130.7
[M+NH4]+ 157.09714 152.4
[M+K]+ 178.02648 134.9
[M+H-H2O]+ 122.06058 122.6
[M+HCOO]- 184.06152 149.2
[M+CH3COO]- 198.07717 171.5
[M+Na-2H]- 160.03799 130.5
[M]+ 139.06277 125.4
[M]- 139.06387 125.4
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.