CID 520584

L-sorbose, bis-o-(1-methylethylidene)-

Structural Information

Molecular Formula
C12H20O6
SMILES
CC1(OCC2(O1)C3C(C(CO2)OC(O3)(C)C)O)C
InChI
InChI=1S/C12H20O6/c1-10(2)15-6-12(18-10)9-8(13)7(5-14-12)16-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3
InChIKey
HIHGMQOBMJOZKO-UHFFFAOYSA-N
Compound name
2,2,3',3'-tetramethylspiro[1,3-dioxolane-4,6'-2,4,7-trioxabicyclo[3.3.1]nonane]-9'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12598 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13326 152.0
[M+Na]+ 283.11520 160.3
[M-H]- 259.11870 158.9
[M+NH4]+ 278.15980 171.2
[M+K]+ 299.08914 164.6
[M+H-H2O]+ 243.12324 149.6
[M+HCOO]- 305.12418 161.7
[M+CH3COO]- 319.13983 164.6
[M+Na-2H]- 281.10065 161.9
[M]+ 260.12543 155.4
[M]- 260.12653 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.