CID 15384752

664364-29-8

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

CCOC(=O)CC1CCN(C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H23NO4/c1-5-17-11(15)8-10-6-7-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3

InChIKey

PIDOQUSXCYDMQD-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 257.16272 Da
Monoisotopic Mass: 1.7
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]+	258.169996	162.1
[M+Na]+	280.151938	167.2
[M-H]-	256.155444	163.7
[M+NH4]+	275.196543	179.7
[M+K]+	296.125878	167.2
[M+H-H2O]+	240.159980	156.2
[M+HCOO]-	302.160921	179.7
[M+CH3COO]-	316.176571	193.6
[M+Na-2H]-	278.137386	162.1
[M]+	257.16217142	164.6
[M]-	257.16326858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe