CID 83091322

3,3-dimethoxyazetidine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

COC1(CNC1)OC

InChI

InChI=1S/C5H11NO2/c1-7-5(8-2)3-6-4-5/h6H,3-4H2,1-2H3

InChIKey

VMENWOKQWSVFKS-UHFFFAOYSA-N

Compound name

3,3-dimethoxyazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 117.07898 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]+	118.086256	121.8
[M+Na]+	140.068198	128.2
[M-H]-	116.071704	122.9
[M+NH4]+	135.112803	137.9
[M+K]+	156.042138	131.2
[M+H-H2O]+	100.076240	112.7
[M+HCOO]-	162.077181	142.0
[M+CH3COO]-	176.092831	169.4
[M+Na-2H]-	138.053646	129.8
[M]+	117.07843142	130.3
[M]-	117.07952858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe