CID 53398357

1257553-74-4

Structural Information

Molecular Formula
C12H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(=O)N
InChI
InChI=1S/C12H17BN2O3/c1-11(2)12(3,4)18-13(17-11)8-5-6-9(10(14)16)15-7-8/h5-7H,1-4H3,(H2,14,16)
InChIKey
NRPJHELKCIKBLE-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

248.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14050 153.0
[M+Na]+ 271.12244 163.9
[M+NH4]+ 266.16704 162.5
[M+K]+ 287.09638 158.5
[M-H]- 247.12594 157.8
[M+Na-2H]- 269.10789 160.0
[M]+ 248.13267 156.1
[M]- 248.13377 156.1
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