CID 550809

3,3,4-trimethylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC1C(=O)NC(=O)C1(C)C
InChI
InChI=1S/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10)
InChIKey
SUPYQTKKYLUOBW-UHFFFAOYSA-N
Compound name
3,3,4-trimethylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

141.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 125.7
[M+Na]+ 164.068198 135.7
[M-H]- 140.071704 127.5
[M+NH4]+ 159.112803 149.7
[M+K]+ 180.042138 133.9
[M+H-H2O]+ 124.076240 122.0
[M+HCOO]- 186.077181 146.8
[M+CH3COO]- 200.092831 171.4
[M+Na-2H]- 162.053646 129.7
[M]+ 141.07843142 124.3
[M]- 141.07952858 124.3
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