CID 139026408

2361645-77-2

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCOC1(CNC1)CO

InChI

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

InChIKey

VVIMRBHQYUYQNQ-UHFFFAOYSA-N

Compound name

(3-ethoxyazetidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	132.101916	128.3
[M+Na]+	154.083858	133.8
[M-H]-	130.087364	127.8
[M+NH4]+	149.128463	143.0
[M+K]+	170.057798	135.6
[M+H-H2O]+	114.091900	119.0
[M+HCOO]-	176.092841	146.6
[M+CH3COO]-	190.108491	169.8
[M+Na-2H]-	152.069306	135.0
[M]+	131.09409142	135.3
[M]-	131.09518858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.