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: 830
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	138.4
[M+Na]+	232.97839	149.1
[M-H]-	208.98189	140.4
[M+NH4]+	228.02299	160.2
[M+K]+	248.95233	139.5
[M+H-H2O]+	192.98643	139.5
[M+HCOO]-	254.98737	156.7
[M+CH3COO]-	269.00302	180.7
[M+Na-2H]-	230.96384	145.3
[M]+	209.98862	158.4
[M]-	209.98972	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe