CID 558761

Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=O)CCC1CCC(=O)N1
InChI
InChI=1S/C9H15NO3/c1-2-13-9(12)6-4-7-3-5-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)
InChIKey
YFBCKVZBTFSKHG-UHFFFAOYSA-N
Compound name
ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

185.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 142.0
[M+Na]+ 208.09442 147.9
[M-H]- 184.09792 142.2
[M+NH4]+ 203.13902 161.4
[M+K]+ 224.06836 146.5
[M+H-H2O]+ 168.10246 135.9
[M+HCOO]- 230.10340 161.5
[M+CH3COO]- 244.11905 177.8
[M+Na-2H]- 206.07987 143.4
[M]+ 185.10465 140.9
[M]- 185.10575 140.9
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

No patent data available for this compound.