CID 2724446

Ethyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C7H11NO3
SMILES
CCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey
QYJOOVQLTTVTJY-YFKPBYRVSA-N
Compound name
ethyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1257
Patents

157.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.8
[M+Na]+ 180.06312 139.6
[M-H]- 156.06662 133.4
[M+NH4]+ 175.10772 153.3
[M+K]+ 196.03706 138.7
[M+H-H2O]+ 140.07116 127.1
[M+HCOO]- 202.07210 153.0
[M+CH3COO]- 216.08775 171.7
[M+Na-2H]- 178.04857 135.3
[M]+ 157.07335 130.9
[M]- 157.07445 130.9
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

patents stripe