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

13
Patents

173.0688 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 135.2
[M+Na]+ 196.05802 142.3
[M-H]- 172.06152 134.7
[M+NH4]+ 191.10262 154.5
[M+K]+ 212.03196 141.0
[M+H-H2O]+ 156.06606 129.9
[M+HCOO]- 218.06700 154.1
[M+CH3COO]- 232.08265 173.2
[M+Na-2H]- 194.04347 136.7
[M]+ 173.06825 133.4
[M]- 173.06935 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