CID 84049788

2-[(1-methylazetidin-3-yl)oxy]ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CN1CC(C1)OCCO

InChI

InChI=1S/C6H13NO2/c1-7-4-6(5-7)9-3-2-8/h6,8H,2-5H2,1H3

InChIKey

BKFCJZSOIPROMN-UHFFFAOYSA-N

Compound name

2-(1-methylazetidin-3-yl)oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 131.09464 Da
Monoisotopic Mass: -0.7
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	125.1
[M+Na]+	154.08386	131.1
[M-H]-	130.08736	126.0
[M+NH4]+	149.12846	138.9
[M+K]+	170.05780	133.8
[M+H-H2O]+	114.09190	114.7
[M+HCOO]-	176.09284	145.0
[M+CH3COO]-	190.10849	173.9
[M+Na-2H]-	152.06931	130.8
[M]+	131.09409	134.0
[M]-	131.09519	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.