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

41
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 122.5
[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

No literature data available for this compound.

Patent stripe

patents stripe