CID 15088154

3-acetyl-1-methylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC(=O)C1C(=O)CN(C1=O)C
InChI
InChI=1S/C7H9NO3/c1-4(9)6-5(10)3-8(2)7(6)11/h6H,3H2,1-2H3
InChIKey
HQEKTWIWHYSKBB-UHFFFAOYSA-N
Compound name
3-acetyl-1-methylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

155.05824 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 128.1
[M+Na]+ 178.047458 137.5
[M-H]- 154.050964 131.0
[M+NH4]+ 173.092063 150.0
[M+K]+ 194.021398 136.9
[M+H-H2O]+ 138.055500 123.1
[M+HCOO]- 200.056441 150.1
[M+CH3COO]- 214.072091 176.5
[M+Na-2H]- 176.032906 130.1
[M]+ 155.05769142 128.4
[M]- 155.05878858 128.4
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

patents stripe