CID 130067952

1374656-46-8

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)(CC=O)C#N

InChI

InChI=1S/C11H16N2O3/c1-10(2,3)16-9(15)13-7-11(6-12,8-13)4-5-14/h5H,4,7-8H2,1-3H3

InChIKey

BERBHJIDRVKYNB-UHFFFAOYSA-N

Compound name

tert-butyl 3-cyano-3-(2-oxoethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.11609 Da
Monoisotopic Mass: -0.1
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]+	225.123366	147.8
[M+Na]+	247.105308	154.9
[M-H]-	223.108814	150.0
[M+NH4]+	242.149913	159.2
[M+K]+	263.079248	158.2
[M+H-H2O]+	207.113350	132.2
[M+HCOO]-	269.114291	162.6
[M+CH3COO]-	283.129941	202.3
[M+Na-2H]-	245.090756	152.0
[M]+	224.11554142	153.2
[M]-	224.11663858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.