CID 14118376

1,5,5-trimethylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC1(C(=O)CC(=O)N1C)C
InChI
InChI=1S/C7H11NO2/c1-7(2)5(9)4-6(10)8(7)3/h4H2,1-3H3
InChIKey
CRHAYGIHWLIQBI-UHFFFAOYSA-N
Compound name
1,5,5-trimethylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 124.3
[M+Na]+ 164.068198 134.7
[M-H]- 140.071704 127.4
[M+NH4]+ 159.112803 149.0
[M+K]+ 180.042138 133.9
[M+H-H2O]+ 124.076240 120.3
[M+HCOO]- 186.077181 146.9
[M+CH3COO]- 200.092831 174.0
[M+Na-2H]- 162.053646 128.8
[M]+ 141.07843142 124.8
[M]- 141.07952858 124.8
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