CID 87724

18604-34-7

Structural Information

Molecular Formula
C9H16O6
SMILES
CC1(OC[C@]2(O1)[C@H]([C@@H]([C@H](CO2)O)O)O)C
InChI
InChI=1S/C9H16O6/c1-8(2)14-4-9(15-8)7(12)6(11)5(10)3-13-9/h5-7,10-12H,3-4H2,1-2H3/t5-,6+,7-,9-/m0/s1
InChIKey
NCPKAWHTYZABFG-XQXXSGGOSA-N
Compound name
(5S,6S,7R,8S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]decane-6,7,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09468 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.101956 143.3
[M+Na]+ 243.083898 150.7
[M-H]- 219.087404 147.3
[M+NH4]+ 238.128503 162.0
[M+K]+ 259.057838 152.6
[M+H-H2O]+ 203.091940 140.9
[M+HCOO]- 265.092881 156.5
[M+CH3COO]- 279.108531 178.3
[M+Na-2H]- 241.069346 149.9
[M]+ 220.09413142 142.4
[M]- 220.09522858 142.4
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.