CID 130540049

Rac-4,4,5,5-tetramethyl-2-[(1r,2r)-2-(naphthalen-1-yl)cyclopropyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C19H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H23BO2/c1-18(2)19(3,4)22-20(21-18)17-12-16(17)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16-17H,12H2,1-4H3/t16-,17+/m0/s1
InChIKey
YIBKTSKVRUUIGK-DLBZAZTESA-N
Compound name
4,4,5,5-tetramethyl-2-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18638 163.8
[M+Na]+ 317.16832 174.7
[M-H]- 293.17182 176.8
[M+NH4]+ 312.21292 179.0
[M+K]+ 333.14226 174.1
[M+H-H2O]+ 277.17636 158.1
[M+HCOO]- 339.17730 181.8
[M+CH3COO]- 353.19295 176.9
[M+Na-2H]- 315.15377 168.7
[M]+ 294.17855 169.3
[M]- 294.17965 169.3
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.