CID 24689342

2-[(2-bromoethoxy)methyl]oxolane

Structural Information

Molecular Formula

C₇H₁₃BrO₂

SMILES

C1CC(OC1)COCCBr

InChI

InChI=1S/C7H13BrO2/c8-3-5-9-6-7-2-1-4-10-7/h7H,1-6H2

InChIKey

SVWDVYJZNRPALE-UHFFFAOYSA-N

Compound name

2-(2-bromoethoxymethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 208.00989 Da
Monoisotopic Mass: 1.2
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]+	209.01717	142.0
[M+Na]+	230.99911	151.6
[M-H]-	207.00261	148.1
[M+NH4]+	226.04371	164.7
[M+K]+	246.97305	143.5
[M+H-H2O]+	191.00715	142.5
[M+HCOO]-	253.00809	162.1
[M+CH3COO]-	267.02374	180.9
[M+Na-2H]-	228.98456	148.6
[M]+	208.00934	160.9
[M]-	208.01044	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe