CID 21919392

106334-26-3

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

CC(CC1OCCO1)Br

InChI

InChI=1S/C6H11BrO2/c1-5(7)4-6-8-2-3-9-6/h5-6H,2-4H2,1H3

InChIKey

YBIWPLUCPRZQRM-UHFFFAOYSA-N

Compound name

2-(2-bromopropyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 193.99425 Da
Monoisotopic Mass: 1.4
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]+	195.001526	139.3
[M+Na]+	216.983468	149.0
[M-H]-	192.986974	146.1
[M+NH4]+	212.028073	161.2
[M+K]+	232.957408	142.3
[M+H-H2O]+	176.991510	140.2
[M+HCOO]-	238.992451	157.7
[M+CH3COO]-	253.008101	178.9
[M+Na-2H]-	214.968916	146.0
[M]+	193.99370142	157.7
[M]-	193.99479858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe