CID 20805022

5-tert-butylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)(C)C1C(=O)CC(=O)N1
InChI
InChI=1S/C8H13NO2/c1-8(2,3)7-5(10)4-6(11)9-7/h7H,4H2,1-3H3,(H,9,11)
InChIKey
JDMKZSXHUCPDIL-UHFFFAOYSA-N
Compound name
5-tert-butylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

155.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.5
[M+Na]+ 178.08386 141.7
[M-H]- 154.08736 134.7
[M+NH4]+ 173.12846 154.8
[M+K]+ 194.05780 140.0
[M+H-H2O]+ 138.09190 129.0
[M+HCOO]- 200.09284 152.6
[M+CH3COO]- 214.10849 173.3
[M+Na-2H]- 176.06931 137.0
[M]+ 155.09409 131.2
[M]- 155.09519 131.2
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