CID 71310696

5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C10H10BNO6
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(O2)C=O
InChI
InChI=1S/C10H10BNO6/c1-12-4-9(14)17-11(18-10(15)5-12)8-3-2-7(6-13)16-8/h2-3,6H,4-5H2,1H3
InChIKey
TXJROHJTTRUYBQ-UHFFFAOYSA-N
Compound name
5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.06012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06740 155.3
[M+Na]+ 274.04934 158.8
[M+NH4]+ 269.09394 157.0
[M+K]+ 290.02328 159.3
[M-H]- 250.05284 156.6
[M+Na-2H]- 272.03479 156.8
[M]+ 251.05957 156.0
[M]- 251.06067 156.0
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.