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]+ 261.133256 152.0
[M+Na]+ 283.115198 160.3
[M-H]- 259.118704 158.9
[M+NH4]+ 278.159803 171.2
[M+K]+ 299.089138 164.6
[M+H-H2O]+ 243.123240 149.6
[M+HCOO]- 305.124181 161.7
[M+CH3COO]- 319.139831 164.6
[M+Na-2H]- 281.100646 161.9
[M]+ 260.12543142 155.4
[M]- 260.12652858 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.