CID 10942437

58394-31-3

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

C1[C@@H]2[C@H](C=C[C@H](O1)O2)O

InChI

InChI=1S/C6H8O3/c7-4-1-2-6-8-3-5(4)9-6/h1-2,4-7H,3H2/t4-,5+,6+/m0/s1

InChIKey

JUEHHXVLFOIJJJ-KVQBGUIXSA-N

Compound name

(1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 128.04735 Da
Monoisotopic Mass: -0.5
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]+	129.054626	119.8
[M+Na]+	151.036568	127.8
[M-H]-	127.040074	122.9
[M+NH4]+	146.081173	142.2
[M+K]+	167.010508	129.0
[M+H-H2O]+	111.044610	116.3
[M+HCOO]-	173.045551	138.8
[M+CH3COO]-	187.061201	166.7
[M+Na-2H]-	149.022016	129.3
[M]+	128.04680142	120.0
[M]-	128.04789858	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe