CID 543735

2,3-dibromo-3-methylbutanoic acid

Structural Information

Molecular Formula

C₅H₈Br₂O₂

SMILES

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

InChI

InChI=1S/C5H8Br2O2/c1-5(2,7)3(6)4(8)9/h3H,1-2H3,(H,8,9)

InChIKey

RWJNIIYQCXBZFS-UHFFFAOYSA-N

Compound name

2,3-dibromo-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 257.8891 Da
Monoisotopic Mass: 2.0
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]+	258.89638	141.1
[M+Na]+	280.87832	134.3
[M+NH4]+	275.92292	142.2
[M+K]+	296.85226	142.5
[M-H]-	256.88182	139.3
[M+Na-2H]-	278.86377	140.5
[M]+	257.88855	138.3
[M]-	257.88965	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe