CID 53409716

Azetidin-3-yl propanoate hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CCC(=O)OC1CNC1

InChI

InChI=1S/C6H11NO2/c1-2-6(8)9-5-3-7-4-5/h5,7H,2-4H2,1H3

InChIKey

TZGHYXIOSCZIGJ-UHFFFAOYSA-N

Compound name

azetidin-3-yl propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 129.07898 Da
Monoisotopic Mass: 0.0
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]+	130.08626	126.0
[M+Na]+	152.06820	131.1
[M-H]-	128.07170	126.6
[M+NH4]+	147.11280	139.5
[M+K]+	168.04214	133.8
[M+H-H2O]+	112.07624	115.3
[M+HCOO]-	174.07718	145.0
[M+CH3COO]-	188.09283	172.1
[M+Na-2H]-	150.05365	131.0
[M]+	129.07843	133.1
[M]-	129.07953	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe