CID 44118255

6-(hydroxymethyl)pyridine-3-boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06700 128.6
[M+Na]+ 176.04894 136.2
[M-H]- 152.05244 127.2
[M+NH4]+ 171.09354 146.4
[M+K]+ 192.02288 134.1
[M+H-H2O]+ 136.05698 123.0
[M+HCOO]- 198.05792 147.8
[M+CH3COO]- 212.07357 167.7
[M+Na-2H]- 174.03439 134.6
[M]+ 153.05917 126.7
[M]- 153.06027 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