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]+ 258.16600 150.6
[M+Na]+ 280.14794 164.0
[M-H]- 256.15144 158.7
[M+NH4]+ 275.19254 170.0
[M+K]+ 296.12188 160.6
[M+H-H2O]+ 240.15598 140.0
[M+HCOO]- 302.15692 168.1
[M+CH3COO]- 316.17257 208.9
[M+Na-2H]- 278.13339 155.0
[M]+ 257.15817 150.0
[M]- 257.15927 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.