CID 274831

1027-35-6

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CCOC(=O)C1CN(CC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c1-2-18-14(17)12-9-15(10-13(12)16)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3

InChIKey

XLKXIFXOWMGWNT-UHFFFAOYSA-N

Compound name

ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 247.12085 Da
Monoisotopic Mass: 1.8
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]+	248.12813	157.6
[M+Na]+	270.11007	168.5
[M+NH4]+	265.15467	164.6
[M+K]+	286.08401	164.3
[M-H]-	246.11357	159.4
[M+Na-2H]-	268.09552	162.7
[M]+	247.12030	159.3
[M]-	247.12140	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe