CID 552082

2-(5-bromopentyl)-1,3-dioxolane

Structural Information

Molecular Formula

C₈H₁₅BrO₂

SMILES

C1COC(O1)CCCCCBr

InChI

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

InChIKey

DYVNUZNBIHDABX-UHFFFAOYSA-N

Compound name

2-(5-bromopentyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
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	147.6
[M+Na]+	245.01476	148.5
[M+NH4]+	240.05936	152.2
[M+K]+	260.98870	150.2
[M-H]-	221.01826	149.4
[M+Na-2H]-	243.00021	147.6
[M]+	222.02499	146.9
[M]-	222.02609	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe