CID 15577093

3,3-dimethylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1(C(=O)CNC1=O)C
InChI
InChI=1S/C6H9NO2/c1-6(2)4(8)3-7-5(6)9/h3H2,1-2H3,(H,7,9)
InChIKey
BPXYCXQWVROGBV-UHFFFAOYSA-N
Compound name
3,3-dimethylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

127.06333 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 122.5
[M+Na]+ 150.05255 131.9
[M-H]- 126.05605 124.0
[M+NH4]+ 145.09715 146.7
[M+K]+ 166.02649 130.4
[M+H-H2O]+ 110.06059 118.5
[M+HCOO]- 172.06153 143.9
[M+CH3COO]- 186.07718 167.1
[M+Na-2H]- 148.03800 127.5
[M]+ 127.06278 120.3
[M]- 127.06388 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

literature stripe

Patent stripe

patents stripe