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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.112476	138.0
[M+Na]+	208.094418	146.4
[M-H]-	184.097924	140.5
[M+NH4]+	203.139023	160.7
[M+K]+	224.068358	146.1
[M+H-H2O]+	168.102460	133.4
[M+HCOO]-	230.103401	159.3
[M+CH3COO]-	244.119051	181.1
[M+Na-2H]-	206.079866	141.0
[M]+	185.10465142	139.7
[M]-	185.10574858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe