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

15
Patents

155.05824 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 128.1
[M+Na]+ 178.04746 137.5
[M-H]- 154.05096 131.0
[M+NH4]+ 173.09206 150.0
[M+K]+ 194.02140 136.9
[M+H-H2O]+ 138.05550 123.1
[M+HCOO]- 200.05644 150.1
[M+CH3COO]- 214.07209 176.5
[M+Na-2H]- 176.03291 130.1
[M]+ 155.05769 128.4
[M]- 155.05879 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