CID 54993

1,2-anhydro-6-bromomannitol

Structural Information

Molecular Formula

C₆H₁₁BrO₄

SMILES

C=C(C(C(C(CBr)O)O)O)O

InChI

InChI=1S/C6H11BrO4/c1-3(8)5(10)6(11)4(9)2-7/h4-6,8-11H,1-2H2

InChIKey

YCDUUMUTLUFECQ-UHFFFAOYSA-N

Compound name

6-bromohex-1-ene-2,3,4,5-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 225.98407 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]+	226.99135	144.4
[M+Na]+	248.97329	152.1
[M-H]-	224.97679	141.9
[M+NH4]+	244.01789	162.7
[M+K]+	264.94723	141.3
[M+H-H2O]+	208.98133	144.7
[M+HCOO]-	270.98227	156.9
[M+CH3COO]-	284.99792	178.7
[M+Na-2H]-	246.95874	145.1
[M]+	225.98352	158.7
[M]-	225.98462	158.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.