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 157.4
[M+Na]+ 274.04934 163.1
[M-H]- 250.05284 161.0
[M+NH4]+ 269.09394 163.6
[M+K]+ 290.02328 164.7
[M+H-H2O]+ 234.05738 153.6
[M+HCOO]- 296.05832 165.7
[M+CH3COO]- 310.07397 225.8
[M+Na-2H]- 272.03479 156.9
[M]+ 251.05957 158.7
[M]- 251.06067 158.7
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

patents stripe