CID 4535412

Tert-butyl 2-bromoacrylate

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

CC(C)(C)OC(=O)C(=C)Br

InChI

InChI=1S/C7H11BrO2/c1-5(8)6(9)10-7(2,3)4/h1H2,2-4H3

InChIKey

GWIIOMWMVVSZJE-UHFFFAOYSA-N

Compound name

tert-butyl 2-bromoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 282
Patents: 205.99425 Da
Monoisotopic Mass: 3.1
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	135.9
[M+Na]+	228.98347	136.5
[M+NH4]+	224.02807	139.4
[M+K]+	244.95741	138.8
[M-H]-	204.98697	132.9
[M+Na-2H]-	226.96892	136.1
[M]+	205.99370	133.7
[M]-	205.99480	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe