CID 56973167

2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C#N)C)C
InChI
InChI=1S/C15H20BNO2/c1-10-7-13(8-12(9-17)11(10)2)16-18-14(3,4)15(5,6)19-16/h7-8H,1-6H3
InChIKey
RTDUTSUGLKYGLO-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.165996 150.6
[M+Na]+ 280.147938 164.0
[M-H]- 256.151444 158.7
[M+NH4]+ 275.192543 170.0
[M+K]+ 296.121878 160.6
[M+H-H2O]+ 240.155980 140.0
[M+HCOO]- 302.156921 168.1
[M+CH3COO]- 316.172571 208.9
[M+Na-2H]- 278.133386 155.0
[M]+ 257.15817142 150.0
[M]- 257.15926858 150.0
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

No patent data available for this compound.