CID 45786293

741709-62-6

Structural Information

Molecular Formula
C12H15BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C#N
InChI
InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-5-6-15-10(7-9)8-14/h5-7H,1-4H3
InChIKey
SARWEPUHGNIVNJ-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

412
Patents

230.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12995 144.4
[M+Na]+ 253.11189 156.9
[M+NH4]+ 248.15649 151.4
[M+K]+ 269.08583 147.1
[M-H]- 229.11539 142.0
[M+Na-2H]- 251.09734 150.2
[M]+ 230.12212 145.1
[M]- 230.12322 145.1
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