CID 22169807

Bromo-peg3-alcohol

Structural Information

Molecular Formula

C₆H₁₃BrO₃

SMILES

C(COCCOCCBr)O

InChI

InChI=1S/C6H13BrO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2

InChIKey

JYRDRGOLCZHQJZ-UHFFFAOYSA-N

Compound name

2-[2-(2-bromoethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 212.0048 Da
Monoisotopic Mass: -0.1
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]+	213.01208	138.4
[M+Na]+	234.99402	148.4
[M-H]-	210.99752	139.8
[M+NH4]+	230.03862	160.0
[M+K]+	250.96796	138.7
[M+H-H2O]+	195.00206	138.7
[M+HCOO]-	257.00300	158.8
[M+CH3COO]-	271.01865	181.1
[M+Na-2H]-	232.97947	145.9
[M]+	212.00425	160.2
[M]-	212.00535	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe