CID 69607982

Schembl5922264

Structural Information

Molecular Formula
C10H18O7
SMILES
CCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI
InChI=1S/C10H18O7/c1-2-3-4-16-10-7(13)5(11)6(12)8(17-10)9(14)15/h5-8,10-13H,2-4H2,1H3,(H,14,15)/t5-,6-,7+,8-,10?/m0/s1
InChIKey
URUUTUFAIZAMFP-NMLRKWPISA-N
Compound name
(2S,3S,4S,5R)-6-butoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.10526 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11254 153.3
[M+Na]+ 273.09448 158.6
[M-H]- 249.09798 152.0
[M+NH4]+ 268.13908 166.7
[M+K]+ 289.06842 158.4
[M+H-H2O]+ 233.10252 148.0
[M+HCOO]- 295.10346 166.7
[M+CH3COO]- 309.11911 186.0
[M+Na-2H]- 271.07993 153.6
[M]+ 250.10471 153.0
[M]- 250.10581 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.