CID 70819311

2-methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanenitrile

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)-2-pyridinyl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

272.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.176896 157.1
[M+Na]+ 295.158838 168.6
[M-H]- 271.162344 163.0
[M+NH4]+ 290.203443 173.9
[M+K]+ 311.132778 166.0
[M+H-H2O]+ 255.166880 145.0
[M+HCOO]- 317.167821 171.7
[M+CH3COO]- 331.183471 209.5
[M+Na-2H]- 293.144286 162.8
[M]+ 272.16907142 155.4
[M]- 272.17016858 155.4
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