CID 91980814

Ns00084962

Structural Information

Molecular Formula
C6H9O7Sb
SMILES
C1C2C(O[Sb](O1)O2)C(C(C(=O)O)O)O
InChI
InChI=1S/C6H9O7.Sb/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,10-11H,1H2,(H,12,13);/q-3;+3
InChIKey
MNVUQDNWPTZHAG-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-3-(2,6,7-trioxa-1-stibabicyclo[2.2.1]heptan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.93863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.945906 160.7
[M+Na]+ 336.927848 164.9
[M-H]- 312.931354 160.4
[M+NH4]+ 331.972453 176.8
[M+K]+ 352.901788 167.4
[M+H-H2O]+ 296.935890 157.2
[M+HCOO]- 358.936831 172.4
[M+CH3COO]- 372.952481 181.1
[M+Na-2H]- 334.913296 161.8
[M]+ 313.93808142 162.0
[M]- 313.93917858 162.0
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.