CID 70819311

1402390-59-3

Structural Information

Molecular Formula
C15H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C(C)(C)C#N
InChI
InChI=1S/C15H21BN2O2/c1-13(2,10-17)12-9-11(7-8-18-12)16-19-14(3,4)15(5,6)20-16/h7-9H,1-6H3
InChIKey
NKVINYDGKKFPFV-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

272.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17690 155.1
[M+Na]+ 295.15884 166.6
[M+NH4]+ 290.20344 161.4
[M+K]+ 311.13278 157.4
[M-H]- 271.16234 152.0
[M+Na-2H]- 293.14429 160.3
[M]+ 272.16907 155.5
[M]- 272.17017 155.5
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