CID 105427609

2-(3-methoxyazetidin-3-yl)ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

COC1(CNC1)CCO

InChI

InChI=1S/C6H13NO2/c1-9-6(2-3-8)4-7-5-6/h7-8H,2-5H2,1H3

InChIKey

UIHCAPXVVRCEEJ-UHFFFAOYSA-N

Compound name

2-(3-methoxyazetidin-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.09464 Da
Monoisotopic Mass: -1.0
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]+	132.10192	128.3
[M+Na]+	154.08386	133.8
[M-H]-	130.08736	127.8
[M+NH4]+	149.12846	143.0
[M+K]+	170.05780	135.6
[M+H-H2O]+	114.09190	119.0
[M+HCOO]-	176.09284	146.6
[M+CH3COO]-	190.10849	169.8
[M+Na-2H]-	152.06931	135.0
[M]+	131.09409	135.3
[M]-	131.09519	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.