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

23
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 142.9
[M+Na]+ 208.09442 150.8
[M+NH4]+ 203.13902 149.0
[M+K]+ 224.06836 148.3
[M-H]- 184.09792 141.3
[M+Na-2H]- 206.07987 144.5
[M]+ 185.10465 143.0
[M]- 185.10575 143.0
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