CID 72824

3566-61-8

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC1(C(=O)NC(=O)C1(C)C)C
InChI
InChI=1S/C8H13NO2/c1-7(2)5(10)9-6(11)8(7,3)4/h1-4H3,(H,9,10,11)
InChIKey
XGJPUQFWFRCCFO-UHFFFAOYSA-N
Compound name
3,3,4,4-tetramethylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

76
Patents

155.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 127.3
[M+Na]+ 178.08386 137.8
[M-H]- 154.08736 129.3
[M+NH4]+ 173.12846 152.8
[M+K]+ 194.05780 136.0
[M+H-H2O]+ 138.09190 124.5
[M+HCOO]- 200.09284 148.1
[M+CH3COO]- 214.10849 174.2
[M+Na-2H]- 176.06931 132.3
[M]+ 155.09409 126.7
[M]- 155.09519 126.7
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