CID 85866

1,3-dimethylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1CC(=O)N(C1=O)C
InChI
InChI=1S/C6H9NO2/c1-4-3-5(8)7(2)6(4)9/h4H,3H2,1-2H3
InChIKey
NIXKACOKLPRDMY-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

926
Patents

127.06333 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 122.1
[M+Na]+ 150.052548 132.0
[M-H]- 126.056054 125.0
[M+NH4]+ 145.097153 145.3
[M+K]+ 166.026488 131.3
[M+H-H2O]+ 110.060590 117.3
[M+HCOO]- 172.061531 145.0
[M+CH3COO]- 186.077181 171.4
[M+Na-2H]- 148.037996 125.7
[M]+ 127.06278142 121.9
[M]- 127.06387858 121.9
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