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)pyridin-2-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

272.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17690 157.1
[M+Na]+ 295.15884 168.6
[M-H]- 271.16234 163.0
[M+NH4]+ 290.20344 173.9
[M+K]+ 311.13278 166.0
[M+H-H2O]+ 255.16688 145.0
[M+HCOO]- 317.16782 171.7
[M+CH3COO]- 331.18347 209.5
[M+Na-2H]- 293.14429 162.8
[M]+ 272.16907 155.4
[M]- 272.17017 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