CID 11275562

244761-29-3

Structural Information

Molecular Formula
C4BO8
SMILES
[B-]12(OC(=O)C(=O)O1)OC(=O)C(=O)O2
InChI
InChI=1S/C4BO8/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5/q-1
InChIKey
IKHPCVLSMLIHHR-UHFFFAOYSA-N
Compound name
1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

186.96863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97591 128.3
[M+Na]+ 209.95785 136.7
[M+NH4]+ 205.00245 134.2
[M+K]+ 225.93179 139.7
[M-H]- 185.96135 131.1
[M+Na-2H]- 207.94330 128.3
[M]+ 186.96808 129.6
[M]- 186.96918 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

patents stripe