CID 228837

Methyl 2-bromoisovalerate

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

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

InChI

InChI=1S/C6H11BrO2/c1-4(2)5(7)6(8)9-3/h4-5H,1-3H3

InChIKey

CKDTYRDFEIGXNO-UHFFFAOYSA-N

Compound name

methyl 2-bromo-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 193.99425 Da
Monoisotopic Mass: 2.3
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]+	195.00153	132.0
[M+Na]+	216.98347	132.7
[M+NH4]+	212.02807	136.0
[M+K]+	232.95741	134.9
[M-H]-	192.98697	129.6
[M+Na-2H]-	214.96892	132.4
[M]+	193.99370	130.0
[M]-	193.99480	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe