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]+	136.05237	121.2
[M+Na]+	158.03431	128.6
[M-H]-	134.03781	122.0
[M+NH4]+	153.07891	137.5
[M+K]+	174.00825	128.9
[M+H-H2O]+	118.04235	113.1
[M+HCOO]-	180.04329	136.9
[M+CH3COO]-	194.05894	171.3
[M+Na-2H]-	156.01976	129.0
[M]+	135.04454	129.9
[M]-	135.04564	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.