CID 11106292

2-bromo-1,1-dimethoxybutane

Structural Information

Molecular Formula

C₆H₁₃BrO₂

SMILES

CCC(C(OC)OC)Br

InChI

InChI=1S/C6H13BrO2/c1-4-5(7)6(8-2)9-3/h5-6H,4H2,1-3H3

InChIKey

OXJUWNGIXKTRMK-UHFFFAOYSA-N

Compound name

2-bromo-1,1-dimethoxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 196.00989 Da
Monoisotopic Mass: 1.8
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]+	197.01717	134.4
[M+Na]+	218.99911	135.3
[M+NH4]+	214.04371	138.7
[M+K]+	234.97305	136.8
[M-H]-	195.00261	132.4
[M+Na-2H]-	216.98456	135.1
[M]+	196.00934	132.6
[M]-	196.01044	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe