CID 105427104

2253632-08-3

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

COC1(CNC1)CO

InChI

InChI=1S/C5H11NO2/c1-8-5(4-7)2-6-3-5/h6-7H,2-4H2,1H3

InChIKey

JANABEYEOJKUTR-UHFFFAOYSA-N

Compound name

(3-methoxyazetidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 117.07898 Da
Monoisotopic Mass: -1.4
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]+	118.086256	123.7
[M+Na]+	140.068198	129.6
[M-H]-	116.071704	123.4
[M+NH4]+	135.112803	139.0
[M+K]+	156.042138	131.7
[M+H-H2O]+	100.076240	114.7
[M+HCOO]-	162.077181	142.4
[M+CH3COO]-	176.092831	166.9
[M+Na-2H]-	138.053646	131.0
[M]+	117.07843142	130.4
[M]-	117.07952858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe