CID 70938364

1257724-90-5

Structural Information

Molecular Formula
C11H12BNO5
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C11H12BNO5/c1-13-6-10(15)17-12(18-11(16)7-13)8-3-2-4-9(14)5-8/h2-5,14H,6-7H2,1H3
InChIKey
NZNGUMOTSLXTJB-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.08086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08814 153.4
[M+Na]+ 272.07008 157.3
[M+NH4]+ 267.11468 155.4
[M+K]+ 288.04402 157.1
[M-H]- 248.07358 154.7
[M+Na-2H]- 270.05553 155.7
[M]+ 249.08031 154.2
[M]- 249.08141 154.2
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.