CID 268110

Ethyl 1,3-dimethyl-2-oxo-3-pyrrolidinecarboxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=O)C1(CCN(C1=O)C)C
InChI
InChI=1S/C9H15NO3/c1-4-13-8(12)9(2)5-6-10(3)7(9)11/h4-6H2,1-3H3
InChIKey
IKUAGUJQYKVILR-UHFFFAOYSA-N
Compound name
ethyl 1,3-dimethyl-2-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 138.0
[M+Na]+ 208.09442 146.4
[M-H]- 184.09792 140.5
[M+NH4]+ 203.13902 160.7
[M+K]+ 224.06836 146.1
[M+H-H2O]+ 168.10246 133.4
[M+HCOO]- 230.10340 159.3
[M+CH3COO]- 244.11905 181.1
[M+Na-2H]- 206.07987 141.0
[M]+ 185.10465 139.7
[M]- 185.10575 139.7
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