CID 77590

3970-21-6

Structural Information

Molecular Formula

SMILES

COCCOCCl

InChI

InChI=1S/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3

InChIKey

BIAAQBNMRITRDV-UHFFFAOYSA-N

Compound name

1-(chloromethoxy)-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 5638
Patents: 124.029106 Da
Monoisotopic Mass: 0.6
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]+	125.036382	120.4
[M+Na]+	147.018324	129.2
[M-H]-	123.021830	120.9
[M+NH4]+	142.062929	143.8
[M+K]+	162.992264	128.4
[M+H-H2O]+	107.026366	117.2
[M+HCOO]-	169.027307	140.9
[M+CH3COO]-	183.042957	169.1
[M+Na-2H]-	145.003772	128.3
[M]+	124.02855742	125.6
[M]-	124.02965458	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe