CID 53423523

1206641-31-7

Structural Information

Molecular Formula
C16H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C#N
InChI
InChI=1S/C16H20BNO2/c1-14(2)15(3,4)20-17(19-14)13-7-5-12(6-8-13)16(11-18)9-10-16/h5-8H,9-10H2,1-4H3
InChIKey
LQTZQARAJYGKBH-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

269.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16600 154.7
[M+Na]+ 292.14794 168.4
[M+NH4]+ 287.19254 164.1
[M+K]+ 308.12188 158.0
[M-H]- 268.15144 161.0
[M+Na-2H]- 290.13339 164.7
[M]+ 269.15817 159.4
[M]- 269.15927 159.4
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