CID 71310804

3-pyridineboronic acid mida ester

Structural Information

Molecular Formula
C10H11BN2O4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CN=CC=C2
InChI
InChI=1S/C10H11BN2O4/c1-13-6-9(14)16-11(17-10(15)7-13)8-3-2-4-12-5-8/h2-5H,6-7H2,1H3
InChIKey
QJEDFNBMCXNWRT-UHFFFAOYSA-N
Compound name
6-methyl-2-pyridin-3-yl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.08119 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08847 149.6
[M+Na]+ 257.07041 153.8
[M+NH4]+ 252.11501 151.7
[M+K]+ 273.04435 153.5
[M-H]- 233.07391 151.0
[M+Na-2H]- 255.05586 152.5
[M]+ 234.08064 150.5
[M]- 234.08174 150.5
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