CID 11095793

Ethyl-4-bromo-3-methylbut-2-enoate

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

CCOC(=O)/C=C(\C)/CBr

InChI

InChI=1S/C7H11BrO2/c1-3-10-7(9)4-6(2)5-8/h4H,3,5H2,1-2H3/b6-4+

InChIKey

JIPWHZOYUGYXFA-GQCTYLIASA-N

Compound name

ethyl (E)-4-bromo-3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 205.99425 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]+	207.00153	136.7
[M+Na]+	228.98347	137.5
[M+NH4]+	224.02807	140.3
[M+K]+	244.95741	138.7
[M-H]-	204.98697	134.2
[M+Na-2H]-	226.96892	136.9
[M]+	205.99370	134.6
[M]-	205.99480	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe