CID 73555897

58450-10-5

Structural Information

Molecular Formula
C7H15BO10
SMILES
B(O)(O)OC(C(C(C(C(CO)O)O)O)O)C(=O)O
InChI
InChI=1S/C7H15BO10/c9-1-2(10)3(11)4(12)5(13)6(7(14)15)18-8(16)17/h2-6,9-13,16-17H,1H2,(H,14,15)
InChIKey
LEBQRKDIOAFVBI-UHFFFAOYSA-N
Compound name
2-boronooxy-3,4,5,6,7-pentahydroxyheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.07584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08312 153.5
[M+Na]+ 293.06506 154.0
[M-H]- 269.06856 142.1
[M+NH4]+ 288.10966 162.8
[M+K]+ 309.03900 155.9
[M+H-H2O]+ 253.07310 148.1
[M+HCOO]- 315.07404 160.1
[M+CH3COO]- 329.08969 182.6
[M+Na-2H]- 291.05051 147.3
[M]+ 270.07529 149.6
[M]- 270.07639 149.6
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.