CID 54322773

3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C7H11NO3
SMILES
CCC1(C(C(=O)NC1=O)O)C
InChI
InChI=1S/C7H11NO3/c1-3-7(2)4(9)5(10)8-6(7)11/h4,9H,3H2,1-2H3,(H,8,10,11)
InChIKey
SSUHRQWVHLYBBU-UHFFFAOYSA-N
Compound name
3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 129.9
[M+Na]+ 180.063118 139.4
[M-H]- 156.066624 130.2
[M+NH4]+ 175.107723 152.5
[M+K]+ 196.037058 137.2
[M+H-H2O]+ 140.071160 126.3
[M+HCOO]- 202.072101 149.7
[M+CH3COO]- 216.087751 170.9
[M+Na-2H]- 178.048566 133.4
[M]+ 157.07335142 128.1
[M]- 157.07444858 128.1
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

No patent data available for this compound.