CID 15596982

69814-62-6

Structural Information

Molecular Formula

C₈H₁₇ClO₂

SMILES

CC(C)OC(CCl)OC(C)C

InChI

InChI=1S/C8H17ClO2/c1-6(2)10-8(5-9)11-7(3)4/h6-8H,5H2,1-4H3

InChIKey

DYZANRMDXUPKLR-UHFFFAOYSA-N

Compound name

2-(2-chloro-1-propan-2-yloxyethoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 180.0917 Da
Monoisotopic Mass: 2.3
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]+	181.098976	139.3
[M+Na]+	203.080918	145.9
[M-H]-	179.084424	139.5
[M+NH4]+	198.125523	160.4
[M+K]+	219.054858	145.2
[M+H-H2O]+	163.088960	135.6
[M+HCOO]-	225.089901	155.6
[M+CH3COO]-	239.105551	183.6
[M+Na-2H]-	201.066366	141.3
[M]+	180.09115142	144.2
[M]-	180.09224858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe