CID 75132240

(6-isopropylpyridin-3-yl)boronic acid

Structural Information

Molecular Formula
C8H12BNO2
SMILES
B(C1=CN=C(C=C1)C(C)C)(O)O
InChI
InChI=1S/C8H12BNO2/c1-6(2)8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3
InChIKey
BOEITCPLEOEZLF-UHFFFAOYSA-N
Compound name
(6-propan-2-ylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

165.09612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10340 134.7
[M+Na]+ 188.08534 146.1
[M+NH4]+ 183.12994 142.0
[M+K]+ 204.05928 141.8
[M-H]- 164.08884 134.8
[M+Na-2H]- 186.07079 140.0
[M]+ 165.09557 136.1
[M]- 165.09667 136.1
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