CID 198928

Sorbitol, 1,3:2,4:5,6-tri-o-methylene

Structural Information

Molecular Formula

C₉H₁₄O₆

SMILES

C1C(OCO1)C2C3C(COCO3)OCO2

InChI

InChI=1S/C9H14O6/c1-6(12-3-10-1)9-8-7(13-5-15-9)2-11-4-14-8/h6-9H,1-5H2

InChIKey

BEHGDGOSRVSECD-UHFFFAOYSA-N

Compound name

4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 218.07904 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]+	219.086316	145.3
[M+Na]+	241.068258	149.5
[M-H]-	217.071764	154.9
[M+NH4]+	236.112863	157.4
[M+K]+	257.042198	155.6
[M+H-H2O]+	201.076300	141.1
[M+HCOO]-	263.077241	157.0
[M+CH3COO]-	277.092891	157.3
[M+Na-2H]-	239.053706	153.0
[M]+	218.07849142	145.0
[M]-	218.07958858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe