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]+ 158.08118 129.9
[M+Na]+ 180.06312 139.4
[M-H]- 156.06662 130.2
[M+NH4]+ 175.10772 152.5
[M+K]+ 196.03706 137.2
[M+H-H2O]+ 140.07116 126.3
[M+HCOO]- 202.07210 149.7
[M+CH3COO]- 216.08775 170.9
[M+Na-2H]- 178.04857 133.4
[M]+ 157.07335 128.1
[M]- 157.07445 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.