CID 17389893

Methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CCN1CC(CC1=O)C(=O)OC

InChI

InChI=1S/C8H13NO3/c1-3-9-5-6(4-7(9)10)8(11)12-2/h6H,3-5H2,1-2H3

InChIKey

YGAROMNNYOLXKI-UHFFFAOYSA-N

Compound name

methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 171.08954 Da
Monoisotopic Mass: -0.3
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	137.5
[M+Na]+	194.07876	146.6
[M+NH4]+	189.12336	144.2
[M+K]+	210.05270	144.3
[M-H]-	170.08226	136.6
[M+Na-2H]-	192.06421	139.8
[M]+	171.08899	138.1
[M]-	171.09009	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe