CID 93080

((2-butoxyethoxy)methyl)oxirane

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

CCCCOCCOCC1CO1

InChI

InChI=1S/C9H18O3/c1-2-3-4-10-5-6-11-7-9-8-12-9/h9H,2-8H2,1H3

InChIKey

ACBFXJILDVSGGU-UHFFFAOYSA-N

Compound name

2-(2-butoxyethoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 174.1256 Da
Monoisotopic Mass: 0.9
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]+	175.132876	140.7
[M+Na]+	197.114818	148.7
[M-H]-	173.118324	145.6
[M+NH4]+	192.159423	155.1
[M+K]+	213.088758	148.8
[M+H-H2O]+	157.122860	134.0
[M+HCOO]-	219.123801	163.5
[M+CH3COO]-	233.139451	183.8
[M+Na-2H]-	195.100266	147.7
[M]+	174.12505142	149.1
[M]-	174.12614858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe