CID 478965

Chembl124107

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₄

SMILES

CCCCNC(=O)N1[C@@H](CC1=O)OC(=O)C

InChI

InChI=1S/C10H16N2O4/c1-3-4-5-11-10(15)12-8(14)6-9(12)16-7(2)13/h9H,3-6H2,1-2H3,(H,11,15)/t9-/m1/s1

InChIKey

ZAPQRWXWQSGTSJ-SECBINFHSA-N

Compound name

[(2R)-1-(butylcarbamoyl)-4-oxoazetidin-2-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 228.11101 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]+	229.118286	152.8
[M+Na]+	251.100228	157.2
[M-H]-	227.103734	154.6
[M+NH4]+	246.144833	162.7
[M+K]+	267.074168	160.2
[M+H-H2O]+	211.108270	140.4
[M+HCOO]-	273.109211	172.4
[M+CH3COO]-	287.124861	195.3
[M+Na-2H]-	249.085676	153.5
[M]+	228.11046142	163.5
[M]-	228.11155858	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.