CID 11391247

L-enantiomer

Structural Information

Molecular Formula
C12H18O6
SMILES
CC1(OC[C@@]2(O1)C(=O)[C@@H]3[C@H](CO2)OC(O3)(C)C)C
InChI
InChI=1S/C12H18O6/c1-10(2)15-6-12(18-10)9(13)8-7(5-14-12)16-11(3,4)17-8/h7-8H,5-6H2,1-4H3/t7-,8-,12+/m0/s1
InChIKey
IVWWFWFVSWOTLP-YVZVNANGSA-N
Compound name
(3'aS,4R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6346
Patents

258.11035 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11763 148.4
[M+Na]+ 281.09957 157.7
[M-H]- 257.10307 158.1
[M+NH4]+ 276.14417 169.4
[M+K]+ 297.07351 162.0
[M+H-H2O]+ 241.10761 148.0
[M+HCOO]- 303.10855 162.2
[M+CH3COO]- 317.12420 193.2
[M+Na-2H]- 279.08502 156.7
[M]+ 258.10980 153.0
[M]- 258.11090 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe