CID 86621

2-(2-bromoethoxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula

C₇H₁₃BrO₂

SMILES

C1CCOC(C1)OCCBr

InChI

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

InChIKey

GCUOLJOTJRUDIZ-UHFFFAOYSA-N

Compound name

2-(2-bromoethoxy)oxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4725
Patents: 208.00989 Da
Monoisotopic Mass: 1.7
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]+	209.017166	139.2
[M+Na]+	230.999108	147.6
[M-H]-	207.002614	145.0
[M+NH4]+	226.043713	160.1
[M+K]+	246.973048	139.6
[M+H-H2O]+	191.007150	139.5
[M+HCOO]-	253.008091	157.2
[M+CH3COO]-	267.023741	181.1
[M+Na-2H]-	228.984556	147.2
[M]+	208.00934142	156.2
[M]-	208.01043858	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe