CID 138987727

2305255-27-8

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

COC1(CNC1)CCl

InChI

InChI=1S/C5H10ClNO/c1-8-5(2-6)3-7-4-5/h7H,2-4H2,1H3

InChIKey

NGFLRQQMUWXGMO-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-3-methoxyazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.04509 Da
Monoisotopic Mass: -0.1
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]+	136.052366	121.2
[M+Na]+	158.034308	128.6
[M-H]-	134.037814	122.0
[M+NH4]+	153.078913	137.5
[M+K]+	174.008248	128.9
[M+H-H2O]+	118.042350	113.1
[M+HCOO]-	180.043291	136.9
[M+CH3COO]-	194.058941	171.3
[M+Na-2H]-	156.019756	129.0
[M]+	135.04454142	129.9
[M]-	135.04563858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.