CID 60919194

1-(2-bromoethoxy)-3-methoxypropane

Structural Information

Molecular Formula

C₆H₁₃BrO₂

SMILES

COCCCOCCBr

InChI

InChI=1S/C6H13BrO2/c1-8-4-2-5-9-6-3-7/h2-6H2,1H3

InChIKey

QQNJUDPQWKAYAN-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxy)-3-methoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.00989 Da
Monoisotopic Mass: 1.0
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]+	197.01717	135.1
[M+Na]+	218.99911	145.8
[M-H]-	195.00261	138.0
[M+NH4]+	214.04371	158.2
[M+K]+	234.97305	136.6
[M+H-H2O]+	179.00715	135.6
[M+HCOO]-	241.00809	156.8
[M+CH3COO]-	255.02374	181.9
[M+Na-2H]-	216.98456	143.2
[M]+	196.00934	157.4
[M]-	196.01044	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.