CID 280989

L-chiro-inositol, 1,2:5,6-bis-o-(1-methylethylidene)-

Structural Information

Molecular Formula
C12H20O6
SMILES
CC1(OC2C(C(C3C(C2O1)OC(O3)(C)C)O)O)C
InChI
InChI=1S/C12H20O6/c1-11(2)15-7-5(13)6(14)8-10(9(7)17-11)18-12(3,4)16-8/h5-10,13-14H,1-4H3
InChIKey
ZQZGHZYIHMUHSI-UHFFFAOYSA-N
Compound name
4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane-7,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

260.12598 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13326 153.4
[M+Na]+ 283.11520 162.6
[M-H]- 259.11870 159.0
[M+NH4]+ 278.15980 173.7
[M+K]+ 299.08914 164.4
[M+H-H2O]+ 243.12324 153.1
[M+HCOO]- 305.12418 164.7
[M+CH3COO]- 319.13983 192.4
[M+Na-2H]- 281.10065 158.8
[M]+ 260.12543 156.9
[M]- 260.12653 156.9
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

patents stripe