CID 56776929

848953-05-9

Structural Information

Molecular Formula
C14H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C#N)C
InChI
InChI=1S/C14H18BNO2/c1-10-8-11(9-16)6-7-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
InChIKey
HHMQXEPAUAWWKE-UHFFFAOYSA-N
Compound name
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

243.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15035 146.7
[M+Na]+ 266.13229 159.3
[M+NH4]+ 261.17689 154.1
[M+K]+ 282.10623 149.2
[M-H]- 242.13579 145.0
[M+Na-2H]- 264.11774 152.4
[M]+ 243.14252 147.6
[M]- 243.14362 147.6
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