CID 5209802

2,3-dideoxyhexitol

Structural Information

Molecular Formula

C₆H₁₄O₄

SMILES

C(CC(C(CO)O)O)CO

InChI

InChI=1S/C6H14O4/c7-3-1-2-5(9)6(10)4-8/h5-10H,1-4H2

InChIKey

RLMXGBGAZRVYIX-UHFFFAOYSA-N

Compound name

hexane-1,2,3,6-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5872
Patents: 150.0892 Da
Monoisotopic Mass: -1.7
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]+	151.096476	134.2
[M+Na]+	173.078418	139.1
[M-H]-	149.081924	128.7
[M+NH4]+	168.123023	152.4
[M+K]+	189.052358	138.0
[M+H-H2O]+	133.086460	129.9
[M+HCOO]-	195.087401	150.8
[M+CH3COO]-	209.103051	166.6
[M+Na-2H]-	171.063866	136.4
[M]+	150.08865142	132.2
[M]-	150.08974858	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe