CID 59534774

1220696-48-9

Structural Information

Molecular Formula
C16H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C3CC3)C#N
InChI
InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)13-7-8-14(11-5-6-11)12(9-13)10-18/h7-9,11H,5-6H2,1-4H3
InChIKey
ZNBNBIZVDMQDBB-UHFFFAOYSA-N
Compound name
2-cyclopropyl-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

5
Patents

269.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16600 156.6
[M+Na]+ 292.14794 170.4
[M+NH4]+ 287.19254 164.8
[M+K]+ 308.12188 161.4
[M-H]- 268.15144 162.8
[M+Na-2H]- 290.13339 165.0
[M]+ 269.15817 161.1
[M]- 269.15927 161.1
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