CID 53415273

890849-28-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(C1)CC=O

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-12)5-7-13/h7,9H,4-6,8H2,1-3H3

InChIKey

XPZCYZRSVIZGRM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 213.13649 Da
Monoisotopic Mass: 0.9
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]+	214.14377	150.3
[M+Na]+	236.12571	158.2
[M+NH4]+	231.17031	156.3
[M+K]+	252.09965	156.2
[M-H]-	212.12921	148.6
[M+Na-2H]-	234.11116	152.1
[M]+	213.13594	150.5
[M]-	213.13704	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe