CID 73553260

2366279-28-7

Structural Information

Molecular Formula
C17H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3(CCC3)C#N
InChI
InChI=1S/C17H22BNO2/c1-15(2)16(3,4)21-18(20-15)14-8-5-7-13(11-14)17(12-19)9-6-10-17/h5,7-8,11H,6,9-10H2,1-4H3
InChIKey
TVAWQQLOMWXNDH-UHFFFAOYSA-N
Compound name
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17435 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18163 153.4
[M+Na]+ 306.16357 163.6
[M-H]- 282.16707 163.3
[M+NH4]+ 301.20817 167.0
[M+K]+ 322.13751 162.7
[M+H-H2O]+ 266.17161 139.0
[M+HCOO]- 328.17255 168.8
[M+CH3COO]- 342.18820 212.6
[M+Na-2H]- 304.14902 158.5
[M]+ 283.17380 158.3
[M]- 283.17490 158.3
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.