CID 11481256

189324-13-8

Structural Information

Molecular Formula

C₆H₁₁BrO₃

SMILES

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

InChI

InChI=1S/C6H11BrO3/c1-6(2,7)5(9)10-4-3-8/h8H,3-4H2,1-2H3

InChIKey

MHXMVFDLNGKBSR-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 2-bromo-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 804
Patents: 209.98917 Da
Monoisotopic Mass: 0.8
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]+	210.99645	138.0
[M+Na]+	232.97839	138.1
[M+NH4]+	228.02299	141.2
[M+K]+	248.95233	140.6
[M-H]-	208.98189	134.5
[M+Na-2H]-	230.96384	137.8
[M]+	209.98862	135.6
[M]-	209.98972	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe