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: 9
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]+	118.08626	121.8
[M+Na]+	140.06820	128.2
[M-H]-	116.07170	122.9
[M+NH4]+	135.11280	137.9
[M+K]+	156.04214	131.2
[M+H-H2O]+	100.07624	112.7
[M+HCOO]-	162.07718	142.0
[M+CH3COO]-	176.09283	169.4
[M+Na-2H]-	138.05365	129.8
[M]+	117.07843	130.3
[M]-	117.07953	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe