CID 75175996

2-(6-isobutoxy-naphthalen-2-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Structural Information

Molecular Formula
C20H27BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)OCC(C)C
InChI
InChI=1S/C20H27BO3/c1-14(2)13-22-18-10-8-15-11-17(9-7-16(15)12-18)21-23-19(3,4)20(5,6)24-21/h7-12,14H,13H2,1-6H3
InChIKey
UEDXKTPSWIFJGL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[6-(2-methylpropoxy)naphthalen-2-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21260 176.4
[M+Na]+ 349.19454 185.0
[M-H]- 325.19804 185.7
[M+NH4]+ 344.23914 195.4
[M+K]+ 365.16848 184.1
[M+H-H2O]+ 309.20258 170.6
[M+HCOO]- 371.20352 194.0
[M+CH3COO]- 385.21917 211.5
[M+Na-2H]- 347.17999 179.5
[M]+ 326.20477 181.8
[M]- 326.20587 181.8
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.