CID 89448767

2562304-56-5

Structural Information

Molecular Formula
C16H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C
InChI
InChI=1S/C16H23BO2/c1-14(2)15(3,4)19-17(18-14)13-8-6-12(7-9-13)16(5)10-11-16/h6-9H,10-11H2,1-5H3
InChIKey
ISDBZXSCQYJSAO-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(1-methylcyclopropyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

258.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18638 151.2
[M+Na]+ 281.16832 161.7
[M-H]- 257.17182 163.7
[M+NH4]+ 276.21292 168.8
[M+K]+ 297.14226 163.5
[M+H-H2O]+ 241.17636 147.4
[M+HCOO]- 303.17730 170.3
[M+CH3COO]- 317.19295 165.3
[M+Na-2H]- 279.15377 157.6
[M]+ 258.17855 157.4
[M]- 258.17965 157.4
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