CID 102887

Nsc 623655

Structural Information

Molecular Formula

C₁₂H₁₈O₆

SMILES

CC1(OCC(O1)C2=C(C3C(O2)OC(O3)(C)C)O)C

InChI

InChI=1S/C12H18O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6,9-10,13H,5H2,1-4H3

InChIKey

BBJBIEZVAHWJOO-UHFFFAOYSA-N

Compound name

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.11035 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]+	259.117626	150.8
[M+Na]+	281.099568	160.1
[M-H]-	257.103074	160.7
[M+NH4]+	276.144173	170.6
[M+K]+	297.073508	163.8
[M+H-H2O]+	241.107610	152.0
[M+HCOO]-	303.108551	166.5
[M+CH3COO]-	317.124201	165.0
[M+Na-2H]-	279.085016	155.9
[M]+	258.10980142	157.0
[M]-	258.11089858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.