CID 45791182

{6-[(2,2-dimethylpropanoyl)amino]-3-pyridinyl}boronic acid

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 149.3
[M+Na]+ 245.10679 155.3
[M-H]- 221.11029 149.1
[M+NH4]+ 240.15139 164.8
[M+K]+ 261.08073 153.6
[M+H-H2O]+ 205.11483 143.2
[M+HCOO]- 267.11577 167.4
[M+CH3COO]- 281.13142 186.4
[M+Na-2H]- 243.09224 153.7
[M]+ 222.11702 148.0
[M]- 222.11812 148.0
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