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]+ 186.112476 142.0
[M+Na]+ 208.094418 147.9
[M-H]- 184.097924 142.2
[M+NH4]+ 203.139023 161.4
[M+K]+ 224.068358 146.5
[M+H-H2O]+ 168.102460 135.9
[M+HCOO]- 230.103401 161.5
[M+CH3COO]- 244.119051 177.8
[M+Na-2H]- 206.079866 143.4
[M]+ 185.10465142 140.9
[M]- 185.10574858 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

literature stripe

Patent stripe

patents stripe