CID 12292463

61334-14-3

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CCOC(=O)C1CNC(=O)C1C

InChI

InChI=1S/C8H13NO3/c1-3-12-8(11)6-4-9-7(10)5(6)2/h5-6H,3-4H2,1-2H3,(H,9,10)

InChIKey

NTNCSUZFSPRCHX-UHFFFAOYSA-N

Compound name

ethyl 4-methyl-5-oxopyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 171.08954 Da
Monoisotopic Mass: 0.0
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]+	172.09682	136.6
[M+Na]+	194.07876	144.0
[M-H]-	170.08226	137.5
[M+NH4]+	189.12336	156.9
[M+K]+	210.05270	142.8
[M+H-H2O]+	154.08680	131.1
[M+HCOO]-	216.08774	156.5
[M+CH3COO]-	230.10339	175.9
[M+Na-2H]-	192.06421	138.0
[M]+	171.08899	135.5
[M]-	171.09009	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe