CID 112281

69416-69-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CCCCOC(=O)CCN1CCC1

InChI

InChI=1S/C10H19NO2/c1-2-3-9-13-10(12)5-8-11-6-4-7-11/h2-9H2,1H3

InChIKey

BGZYXSKAJHLLNR-UHFFFAOYSA-N

Compound name

butyl 3-(azetidin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.14159 Da
Monoisotopic Mass: 1.5
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]+	186.14887	144.1
[M+Na]+	208.13081	148.9
[M+NH4]+	203.17541	147.1
[M+K]+	224.10475	145.4
[M-H]-	184.13431	141.0
[M+Na-2H]-	206.11626	144.9
[M]+	185.14104	142.4
[M]-	185.14214	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.