CID 109163

Einecs 268-743-5

Structural Information

Molecular Formula
C7H13BO9
SMILES
B1(OC(C(O1)C(C(C(C(=O)O)O)O)O)CO)O
InChI
InChI=1S/C7H13BO9/c9-1-2-6(17-8(15)16-2)4(11)3(10)5(12)7(13)14/h2-6,9-12,15H,1H2,(H,13,14)
InChIKey
DAHRGEJJRNEINI-UHFFFAOYSA-N
Compound name
2,3,4-trihydroxy-4-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07254 151.6
[M+Na]+ 275.05448 154.3
[M+NH4]+ 270.09908 153.0
[M+K]+ 291.02842 160.2
[M-H]- 251.05798 147.4
[M+Na-2H]- 273.03993 146.3
[M]+ 252.06471 149.7
[M]- 252.06581 149.7
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.