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
2
Annotation Hits

3
References

344
Patents

139.06332 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 127.5
[M+Na]+ 162.052538 136.2
[M-H]- 138.056044 130.7
[M+NH4]+ 157.097143 152.4
[M+K]+ 178.026478 134.9
[M+H-H2O]+ 122.060580 122.6
[M+HCOO]- 184.061521 149.2
[M+CH3COO]- 198.077171 171.5
[M+Na-2H]- 160.037986 130.5
[M]+ 139.06277142 125.4
[M]- 139.06386858 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

literature stripe

Patent stripe

patents stripe