CID 45791182

1287752-89-9

Structural Information

Molecular Formula
C10H15BN2O3
SMILES
B(C1=CN=C(C=C1)NC(=O)C(C)(C)C)(O)O
InChI
InChI=1S/C10H15BN2O3/c1-10(2,3)9(14)13-8-5-4-7(6-12-8)11(15)16/h4-6,15-16H,1-3H3,(H,12,13,14)
InChIKey
UMNSJQDICLTXBG-UHFFFAOYSA-N
Compound name
[6-(2,2-dimethylpropanoylamino)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.11757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12485 149.5
[M+Na]+ 245.10679 158.4
[M+NH4]+ 240.15139 154.9
[M+K]+ 261.08073 155.9
[M-H]- 221.11029 148.3
[M+Na-2H]- 243.09224 153.3
[M]+ 222.11702 150.0
[M]- 222.11812 150.0
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