CID 198617

Sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1C(CN(C1=O)CCO)C(=O)O
InChI
InChI=1S/C7H11NO4/c9-2-1-8-4-5(7(11)12)3-6(8)10/h5,9H,1-4H2,(H,11,12)
InChIKey
LYORUPRFHVMNOI-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

173.0688 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 135.2
[M+Na]+ 196.058018 142.3
[M-H]- 172.061524 134.7
[M+NH4]+ 191.102623 154.5
[M+K]+ 212.031958 141.0
[M+H-H2O]+ 156.066060 129.9
[M+HCOO]- 218.067001 154.1
[M+CH3COO]- 232.082651 173.2
[M+Na-2H]- 194.043466 136.7
[M]+ 173.06825142 133.4
[M]- 173.06934858 133.4
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

patents stripe