CID 10975499

Dihydrolevoglucosenone

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

C1CC(=O)[C@@H]2OC[C@H]1O2

InChI

InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1

InChIKey

WHIRALQRTSITMI-UJURSFKZSA-N

Compound name

(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1035
Patents: 128.04735 Da
Monoisotopic Mass: -0.2
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]+	129.05463	121.5
[M+Na]+	151.03657	132.1
[M+NH4]+	146.08117	130.9
[M+K]+	167.01051	129.4
[M-H]-	127.04007	124.6
[M+Na-2H]-	149.02202	123.4
[M]+	128.04680	123.7
[M]-	128.04790	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe