CID 58006025

897952-14-6

Structural Information

Molecular Formula
C8H10BNO5
SMILES
B(C1=CN=C(C=C1)OCC(=O)OC)(O)O
InChI
InChI=1S/C8H10BNO5/c1-14-8(11)5-15-7-3-2-6(4-10-7)9(12)13/h2-4,12-13H,5H2,1H3
InChIKey
RSEOANUIYJWZMM-UHFFFAOYSA-N
Compound name
[6-(2-methoxy-2-oxoethoxy)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

211.0652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07248 141.3
[M+Na]+ 234.05442 148.3
[M-H]- 210.05792 141.1
[M+NH4]+ 229.09902 157.2
[M+K]+ 250.02836 147.7
[M+H-H2O]+ 194.06246 134.7
[M+HCOO]- 256.06340 161.0
[M+CH3COO]- 270.07905 179.9
[M+Na-2H]- 232.03987 145.7
[M]+ 211.06465 143.5
[M]- 211.06575 143.5
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