CID 118797263

L-xylulofuranose-1,2-borate

Structural Information

Molecular Formula
C5H10BO7
SMILES
[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)CO)O)(O)O
InChI
InChI=1S/C5H10BO7/c7-2-5-4(3(8)1-11-5)12-6(9,10)13-5/h3-4,7-10H,1-2H2/q-1/t3-,4+,5+/m0/s1
InChIKey
HLBKGCVZIOGTKY-VPENINKCSA-N
Compound name
(1R,5S,8S)-3,3-dihydroxy-5-(hydroxymethyl)-2,4,6-trioxa-3-boranuidabicyclo[3.3.0]octan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05924 130.9
[M+Na]+ 216.04118 138.4
[M-H]- 192.04468 130.7
[M+NH4]+ 211.08578 151.2
[M+K]+ 232.01512 139.9
[M+H-H2O]+ 176.04922 132.4
[M+HCOO]- 238.05016 144.9
[M+CH3COO]- 252.06581 165.0
[M+Na-2H]- 214.02663 139.1
[M]+ 193.05141 129.6
[M]- 193.05251 129.6
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.