CID 19604604

Methyl 3-bromo-2,2-dimethylpropanoate

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

CC(C)(CBr)C(=O)OC

InChI

InChI=1S/C6H11BrO2/c1-6(2,4-7)5(8)9-3/h4H2,1-3H3

InChIKey

AMHWPZMEUOZYNT-UHFFFAOYSA-N

Compound name

methyl 3-bromo-2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 193.99425 Da
Monoisotopic Mass: 1.7
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	134.7
[M+Na]+	216.983468	145.9
[M-H]-	192.986974	138.1
[M+NH4]+	212.028073	157.9
[M+K]+	232.957408	136.9
[M+H-H2O]+	176.991510	136.0
[M+HCOO]-	238.992451	154.2
[M+CH3COO]-	253.008101	181.4
[M+Na-2H]-	214.968916	142.2
[M]+	193.99370142	155.2
[M]-	193.99479858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe