CID 20669365

1,5-dimethylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1C(=O)CC(=O)N1C
InChI
InChI=1S/C6H9NO2/c1-4-5(8)3-6(9)7(4)2/h4H,3H2,1-2H3
InChIKey
PZQPWDZFFADFKJ-UHFFFAOYSA-N
Compound name
1,5-dimethylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

127.06333 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 122.1
[M+Na]+ 150.05255 132.0
[M-H]- 126.05605 125.0
[M+NH4]+ 145.09715 145.3
[M+K]+ 166.02649 131.3
[M+H-H2O]+ 110.06059 117.3
[M+HCOO]- 172.06153 145.0
[M+CH3COO]- 186.07718 171.4
[M+Na-2H]- 148.03800 125.7
[M]+ 127.06278 121.9
[M]- 127.06388 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