CID 13801221

1-tert-butylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)(C)N1CC(=O)CC1=O
InChI
InChI=1S/C8H13NO2/c1-8(2,3)9-5-6(10)4-7(9)11/h4-5H2,1-3H3
InChIKey
BHKAFFDIGRBVOT-UHFFFAOYSA-N
Compound name
1-tert-butylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

155.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.3
[M+Na]+ 178.083858 141.0
[M-H]- 154.087364 134.9
[M+NH4]+ 173.128463 154.4
[M+K]+ 194.057798 140.2
[M+H-H2O]+ 138.091900 127.6
[M+HCOO]- 200.092841 153.0
[M+CH3COO]- 214.108491 175.9
[M+Na-2H]- 176.069306 136.4
[M]+ 155.09409142 131.9
[M]- 155.09518858 131.9
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