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

87
Patents

278.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15108 160.1
[M+Na]+ 301.13302 170.6
[M+NH4]+ 296.17762 168.8
[M+K]+ 317.10696 165.7
[M-H]- 277.13652 164.4
[M+Na-2H]- 299.11847 166.2
[M]+ 278.14325 162.9
[M]- 278.14435 162.9
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