CID 12431716

3587-58-4

Structural Information

Molecular Formula

SMILES

CC(C)OCCl

InChI

InChI=1S/C4H9ClO/c1-4(2)6-3-5/h4H,3H2,1-2H3

InChIKey

GSGPUGZLDGHFDO-UHFFFAOYSA-N

Compound name

2-(chloromethoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 195
Patents: 108.034195 Da
Monoisotopic Mass: 1.6
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]+	109.04147	117.8
[M+Na]+	131.02341	126.4
[M-H]-	107.02692	118.4
[M+NH4]+	126.06802	141.8
[M+K]+	146.99735	125.6
[M+H-H2O]+	91.031455	114.9
[M+HCOO]-	153.03240	137.0
[M+CH3COO]-	167.04805	168.0
[M+Na-2H]-	129.00886	124.5
[M]+	108.03365	120.9
[M]-	108.03474	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe