CID 154699500

Ns00117264

Structural Information

Molecular Formula
C10H18O7
SMILES
CC(C)COC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI
InChI=1S/C10H18O7/c1-4(2)3-16-10-7(13)5(11)6(12)8(17-10)9(14)15/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t5-,6-,7+,8-,10?/m0/s1
InChIKey
BBLDJTVYNSHUPK-NMLRKWPISA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(2-methylpropoxy)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.10526 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11254 153.3
[M+Na]+ 273.09448 158.4
[M-H]- 249.09798 152.0
[M+NH4]+ 268.13908 166.6
[M+K]+ 289.06842 158.8
[M+H-H2O]+ 233.10252 148.2
[M+HCOO]- 295.10346 165.7
[M+CH3COO]- 309.11911 187.0
[M+Na-2H]- 271.07993 152.3
[M]+ 250.10471 152.4
[M]- 250.10581 152.4
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

No patent data available for this compound.