CID 5743487

50321-23-8

Structural Information

Molecular Formula

C₁₁H₂₂O₄

SMILES

CC(C)COCCOCCOCC1CO1

InChI

InChI=1S/C11H22O4/c1-10(2)7-13-5-3-12-4-6-14-8-11-9-15-11/h10-11H,3-9H2,1-2H3

InChIKey

YZVDZGBALSHCNY-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-methylpropoxy)ethoxy]ethoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.15181 Da
Monoisotopic Mass: 0.8
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]+	219.159086	152.7
[M+Na]+	241.141028	159.6
[M-H]-	217.144534	157.2
[M+NH4]+	236.185633	165.3
[M+K]+	257.114968	159.8
[M+H-H2O]+	201.149070	145.6
[M+HCOO]-	263.150011	174.1
[M+CH3COO]-	277.165661	192.2
[M+Na-2H]-	239.126476	157.5
[M]+	218.15126142	162.6
[M]-	218.15235858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.