CID 3060087

1-(5,5-dimethyl-2-oxooxolan-3-yl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H13NO4
SMILES
CC1(CC(C(=O)O1)N2C(=O)CCC2=O)C
InChI
InChI=1S/C10H13NO4/c1-10(2)5-6(9(14)15-10)11-7(12)3-4-8(11)13/h6H,3-5H2,1-2H3
InChIKey
ZICJNBJSTOSWKM-UHFFFAOYSA-N
Compound name
1-(5,5-dimethyl-2-oxooxolan-3-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08446 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 140.8
[M+Na]+ 234.073678 150.0
[M-H]- 210.077184 147.4
[M+NH4]+ 229.118283 162.7
[M+K]+ 250.047618 149.6
[M+H-H2O]+ 194.081720 136.7
[M+HCOO]- 256.082661 161.4
[M+CH3COO]- 270.098311 184.4
[M+Na-2H]- 232.059126 142.2
[M]+ 211.08391142 141.0
[M]- 211.08500858 141.0
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

No patent data available for this compound.