CID 20067152

114214-72-1

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(C1)C2CO2

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-5-4-8(6-12)9-7-14-9/h8-9H,4-7H2,1-3H3

InChIKey

KIGMWLYFCCZZGH-UHFFFAOYSA-N

Compound name

tert-butyl 3-(oxiran-2-yl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 213.13649 Da
Monoisotopic Mass: 1.2
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	150.6
[M+Na]+	236.12571	158.6
[M-H]-	212.12921	157.2
[M+NH4]+	231.17031	163.9
[M+K]+	252.09965	158.0
[M+H-H2O]+	196.13375	144.4
[M+HCOO]-	258.13469	168.6
[M+CH3COO]-	272.15034	188.0
[M+Na-2H]-	234.11116	153.8
[M]+	213.13594	154.1
[M]-	213.13704	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe