CID 10953760

216015-22-4

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

CC1(O[C@@H]2C=C[C@H]([C@@H]2O1)O)C

InChI

InChI=1S/C8H12O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-7,9H,1-2H3/t5-,6-,7+/m1/s1

InChIKey

FXOFSGSXPYHEMV-QYNIQEEDSA-N

Compound name

(3aS,4R,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.07864 Da
Monoisotopic Mass: 0.1
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]+	157.08592	129.0
[M+Na]+	179.06786	138.9
[M+NH4]+	174.11246	139.1
[M+K]+	195.04180	136.9
[M-H]-	155.07136	132.0
[M+Na-2H]-	177.05331	132.3
[M]+	156.07809	131.3
[M]-	156.07919	131.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.