CID 13230355

72593-77-2

Structural Information

Molecular Formula

C₇H₁₅BrO₃

SMILES

COCCOCCOCCBr

InChI

InChI=1S/C7H15BrO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3

InChIKey

LCCCTXULXHJDLA-UHFFFAOYSA-N

Compound name

1-[2-(2-bromoethoxy)ethoxy]-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 565
Patents: 226.02046 Da
Monoisotopic Mass: 0.4
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]+	227.02774	144.5
[M+Na]+	249.00968	145.3
[M+NH4]+	244.05428	148.2
[M+K]+	264.98362	145.4
[M-H]-	225.01318	142.3
[M+Na-2H]-	246.99513	144.8
[M]+	226.01991	142.6
[M]-	226.02101	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe