CID 67175

1-bromo-2,2-dimethoxypropane

Structural Information

Molecular Formula

C₅H₁₁BrO₂

SMILES

CC(CBr)(OC)OC

InChI

InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3

InChIKey

SGTITUFGCGGICE-UHFFFAOYSA-N

Compound name

1-bromo-2,2-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 548
Patents: 181.99425 Da
Monoisotopic Mass: 1.0
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]+	183.001526	131.5
[M+Na]+	204.983468	143.0
[M-H]-	180.986974	134.9
[M+NH4]+	200.028073	155.2
[M+K]+	220.957408	134.4
[M+H-H2O]+	164.991510	132.8
[M+HCOO]-	226.992451	152.0
[M+CH3COO]-	241.008101	179.4
[M+Na-2H]-	202.968916	140.6
[M]+	181.99370142	153.0
[M]-	181.99479858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe