CID 74892520

1414973-10-6

Structural Information

Molecular Formula
C6H8BNO3
SMILES
B(C1=CC(=NC=C1)CO)(O)O
InChI
InChI=1S/C6H8BNO3/c9-4-6-3-5(7(10)11)1-2-8-6/h1-3,9-11H,4H2
InChIKey
CPVLWUOMTZOQIX-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-4-pyridinyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.066996 128.6
[M+Na]+ 176.048938 136.2
[M-H]- 152.052444 127.2
[M+NH4]+ 171.093543 146.4
[M+K]+ 192.022878 134.1
[M+H-H2O]+ 136.056980 123.0
[M+HCOO]- 198.057921 147.8
[M+CH3COO]- 212.073571 167.7
[M+Na-2H]- 174.034386 134.6
[M]+ 153.05917142 126.7
[M]- 153.06026858 126.7
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