CID 45588187

1072945-86-8

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

203
Patents

181.05464 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06192 135.6
[M+Na]+ 204.04386 146.3
[M+NH4]+ 199.08846 141.6
[M+K]+ 220.01780 143.3
[M-H]- 180.04736 134.4
[M+Na-2H]- 202.02931 140.0
[M]+ 181.05409 136.4
[M]- 181.05519 136.4
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