CID 44754762

894808-72-1

Structural Information

Molecular Formula
C6H8BNO2
SMILES
B(C1=C(C=NC=C1)C)(O)O
InChI
InChI=1S/C6H8BNO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4,9-10H,1H3
InChIKey
KSERCJHSQPNSJM-UHFFFAOYSA-N
Compound name
(3-methylpyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

607
Patents

137.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07208 125.6
[M+Na]+ 160.05402 137.8
[M+NH4]+ 155.09862 133.4
[M+K]+ 176.02796 133.1
[M-H]- 136.05752 126.0
[M+Na-2H]- 158.03947 131.8
[M]+ 137.06425 127.2
[M]- 137.06535 127.2
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

patents stripe