CID 168554

26547-47-7

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CC(C)(C)OCCOC(C)(C)C

InChI

InChI=1S/C10H22O2/c1-9(2,3)11-7-8-12-10(4,5)6/h7-8H2,1-6H3

InChIKey

KWGJJEBPCVMBIG-UHFFFAOYSA-N

Compound name

2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 623
Patents: 174.16199 Da
Monoisotopic Mass: 1.9
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]+	175.169266	142.8
[M+Na]+	197.151208	149.5
[M-H]-	173.154714	143.2
[M+NH4]+	192.195813	163.9
[M+K]+	213.125148	150.1
[M+H-H2O]+	157.159250	139.0
[M+HCOO]-	219.160191	162.8
[M+CH3COO]-	233.175841	182.8
[M+Na-2H]-	195.136656	149.4
[M]+	174.16144142	147.5
[M]-	174.16253858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe