CID 13346709

5,5-dimethylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1(C(=O)CC(=O)N1)C
InChI
InChI=1S/C6H9NO2/c1-6(2)4(8)3-5(9)7-6/h3H2,1-2H3,(H,7,9)
InChIKey
VZRDHBPVJBGCAX-UHFFFAOYSA-N
Compound name
5,5-dimethylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

127.06333 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 122.5
[M+Na]+ 150.052548 131.9
[M-H]- 126.056054 124.0
[M+NH4]+ 145.097153 146.7
[M+K]+ 166.026488 130.4
[M+H-H2O]+ 110.060590 118.5
[M+HCOO]- 172.061531 143.9
[M+CH3COO]- 186.077181 167.1
[M+Na-2H]- 148.037996 127.5
[M]+ 127.06278142 120.3
[M]- 127.06387858 120.3
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