CID 114446

Einecs 235-917-7

Structural Information

Molecular Formula

C₈H₁₂O₅

SMILES

CC(=O)OC1COC2C1OCC2O

InChI

InChI=1S/C8H12O5/c1-4(9)13-6-3-12-7-5(10)2-11-8(6)7/h5-8,10H,2-3H2,1H3

InChIKey

ASUQMWUAFHPXOG-UHFFFAOYSA-N

Compound name

(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 188.06847 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]+	189.07575	137.3
[M+Na]+	211.05769	144.9
[M+NH4]+	206.10229	144.3
[M+K]+	227.03163	146.5
[M-H]-	187.06119	138.6
[M+Na-2H]-	209.04314	136.6
[M]+	188.06792	138.3
[M]-	188.06902	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe