CID 45588187

6-(methoxycarbonyl)pyridine-3-boronic acid

Structural Information

Molecular Formula
C7H8BNO4
SMILES
B(C1=CN=C(C=C1)C(=O)OC)(O)O
InChI
InChI=1S/C7H8BNO4/c1-13-7(10)6-3-2-5(4-9-6)8(11)12/h2-4,11-12H,1H3
InChIKey
OJRWQJNSMWIFMD-UHFFFAOYSA-N
Compound name
(6-methoxycarbonylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

181.05464 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06192 134.2
[M+Na]+ 204.04386 141.8
[M-H]- 180.04736 134.2
[M+NH4]+ 199.08846 151.4
[M+K]+ 220.01780 140.8
[M+H-H2O]+ 164.05190 128.1
[M+HCOO]- 226.05284 154.0
[M+CH3COO]- 240.06849 174.7
[M+Na-2H]- 202.02931 139.0
[M]+ 181.05409 134.5
[M]- 181.05519 134.5
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