CID 12211348

1-methylpyrrolidine-2,3-dione

Structural Information

Molecular Formula
C5H7NO2
SMILES
CN1CCC(=O)C1=O
InChI
InChI=1S/C5H7NO2/c1-6-3-2-4(7)5(6)8/h2-3H2,1H3
InChIKey
DHFODCCTNFXCCQ-UHFFFAOYSA-N
Compound name
1-methylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

113.047676 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 118.4
[M+Na]+ 136.036894 127.7
[M-H]- 112.040400 121.1
[M+NH4]+ 131.081499 141.8
[M+K]+ 152.010834 127.3
[M+H-H2O]+ 96.044936 113.3
[M+HCOO]- 158.045877 141.6
[M+CH3COO]- 172.061527 167.2
[M+Na-2H]- 134.022342 123.1
[M]+ 113.04712742 117.4
[M]- 113.04822458 117.4
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