CID 59023117

1169402-51-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

248.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14050 152.1
[M+Na]+ 271.12244 161.0
[M-H]- 247.12594 159.1
[M+NH4]+ 266.16704 171.0
[M+K]+ 287.09638 161.5
[M+H-H2O]+ 231.13048 146.7
[M+HCOO]- 293.13142 171.9
[M+CH3COO]- 307.14707 195.2
[M+Na-2H]- 269.10789 157.0
[M]+ 248.13267 153.8
[M]- 248.13377 153.8
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