CID 53409275

3-(3-methoxypropoxy)azetidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

COCCCOC1CNC1

InChI

InChI=1S/C7H15NO2/c1-9-3-2-4-10-7-5-8-6-7/h7-8H,2-6H2,1H3

InChIKey

VMXPYEXAUPRHIC-UHFFFAOYSA-N

Compound name

3-(3-methoxypropoxy)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 145.11028 Da
Monoisotopic Mass: -0.3
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]+	146.117556	129.6
[M+Na]+	168.099498	134.2
[M-H]-	144.103004	129.8
[M+NH4]+	163.144103	142.4
[M+K]+	184.073438	136.7
[M+H-H2O]+	128.107540	118.6
[M+HCOO]-	190.108481	149.1
[M+CH3COO]-	204.124131	175.7
[M+Na-2H]-	166.084946	135.4
[M]+	145.10973142	138.4
[M]-	145.11082858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe