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)-3-pyridinyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.11757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.124846 149.3
[M+Na]+ 245.106788 155.3
[M-H]- 221.110294 149.1
[M+NH4]+ 240.151393 164.8
[M+K]+ 261.080728 153.6
[M+H-H2O]+ 205.114830 143.2
[M+HCOO]- 267.115771 167.4
[M+CH3COO]- 281.131421 186.4
[M+Na-2H]- 243.092236 153.7
[M]+ 222.11702142 148.0
[M]- 222.11811858 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