CID 53831690

Schembl5908015

Structural Information

Molecular Formula
C10H18O7
SMILES
CC(C)(C)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI
InChI=1S/C10H18O7/c1-10(2,3)17-9-6(13)4(11)5(12)7(16-9)8(14)15/h4-7,9,11-13H,1-3H3,(H,14,15)/t4-,5-,6+,7-,9?/m0/s1
InChIKey
GCXCPPYOGCFUST-UBQDNYDRSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

250.10526 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11254 152.5
[M+Na]+ 273.09448 158.2
[M-H]- 249.09798 151.5
[M+NH4]+ 268.13908 166.0
[M+K]+ 289.06842 158.7
[M+H-H2O]+ 233.10252 148.1
[M+HCOO]- 295.10346 164.4
[M+CH3COO]- 309.11911 185.8
[M+Na-2H]- 271.07993 153.9
[M]+ 250.10471 151.6
[M]- 250.10581 151.6
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.