CID 82181

Ethyl 3-(1-azetidinyl)propionate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCOC(=O)CCN1CCC1

InChI

InChI=1S/C8H15NO2/c1-2-11-8(10)4-7-9-5-3-6-9/h2-7H2,1H3

InChIKey

JHEBCRMYKMBVBX-UHFFFAOYSA-N

Compound name

ethyl 3-(azetidin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 35
Patents: 157.11028 Da
Monoisotopic Mass: 0.6
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]+	158.117556	133.7
[M+Na]+	180.099498	138.4
[M-H]-	156.103004	135.3
[M+NH4]+	175.144103	146.7
[M+K]+	196.073438	141.4
[M+H-H2O]+	140.107540	122.4
[M+HCOO]-	202.108481	153.5
[M+CH3COO]-	216.124131	180.5
[M+Na-2H]-	178.084946	138.2
[M]+	157.10973142	143.3
[M]-	157.11082858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe