CID 59251695

947249-44-7

Structural Information

Molecular Formula
C13H19BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(=O)OC
InChI
InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)8-6-9(11(17)18-5)10(15)16-7-8/h6-7H,1-5H3,(H2,15,16)
InChIKey
CCGFBYOYKYWINY-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

278.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15108 158.8
[M+Na]+ 301.13302 168.2
[M-H]- 277.13652 166.1
[M+NH4]+ 296.17762 176.8
[M+K]+ 317.10696 169.0
[M+H-H2O]+ 261.14106 153.6
[M+HCOO]- 323.14200 178.5
[M+CH3COO]- 337.15765 201.1
[M+Na-2H]- 299.11847 162.8
[M]+ 278.14325 162.8
[M]- 278.14435 162.8
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