CID 146683588

7-deoxy-sedoheptulose

Structural Information

Molecular Formula

C₇H₁₄O₆

SMILES

CC(C1C(C(C(O1)(CO)O)O)O)O

InChI

InChI=1S/C7H14O6/c1-3(9)5-4(10)6(11)7(12,2-8)13-5/h3-6,8-12H,2H2,1H3

InChIKey

AVRKQOKNQSVQNT-UHFFFAOYSA-N

Compound name

5-(1-hydroxyethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.07904 Da
Monoisotopic Mass: -1.9
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]+	195.08632	138.9
[M+Na]+	217.06826	145.8
[M-H]-	193.07176	136.9
[M+NH4]+	212.11286	157.6
[M+K]+	233.04220	145.2
[M+H-H2O]+	177.07630	136.2
[M+HCOO]-	239.07724	153.5
[M+CH3COO]-	253.09289	170.8
[M+Na-2H]-	215.05371	141.1
[M]+	194.07849	136.8
[M]-	194.07959	136.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.