CID 2777988

2-(3-bromopropoxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula

C₈H₁₅BrO₂

SMILES

C1CCOC(C1)OCCCBr

InChI

InChI=1S/C8H15BrO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2

InChIKey

HJNHUFQGDJLQRS-UHFFFAOYSA-N

Compound name

2-(3-bromopropoxy)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2129
Patents: 222.02554 Da
Monoisotopic Mass: 2.1
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]+	223.03282	142.6
[M+Na]+	245.01476	144.2
[M+NH4]+	240.05936	147.6
[M+K]+	260.98870	144.1
[M-H]-	221.01826	144.0
[M+Na-2H]-	243.00021	144.3
[M]+	222.02499	141.9
[M]-	222.02609	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe