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
2
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]+ 251.112536 153.3
[M+Na]+ 273.094478 158.4
[M-H]- 249.097984 152.0
[M+NH4]+ 268.139083 166.6
[M+K]+ 289.068418 158.8
[M+H-H2O]+ 233.102520 148.2
[M+HCOO]- 295.103461 165.7
[M+CH3COO]- 309.119111 187.0
[M+Na-2H]- 271.079926 152.3
[M]+ 250.10471142 152.4
[M]- 250.10580858 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.