CID 66521522

2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C3CC3)C
InChI
InChI=1S/C16H23BO2/c1-11-10-13(12-6-7-12)8-9-14(11)17-18-15(2,3)16(4,5)19-17/h8-10,12H,6-7H2,1-5H3
InChIKey
DZGFIVVTWQOWPI-UHFFFAOYSA-N
Compound name
2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18638 152.5
[M+Na]+ 281.16832 163.1
[M-H]- 257.17182 165.0
[M+NH4]+ 276.21292 168.5
[M+K]+ 297.14226 163.7
[M+H-H2O]+ 241.17636 148.0
[M+HCOO]- 303.17730 171.9
[M+CH3COO]- 317.19295 200.2
[M+Na-2H]- 279.15377 157.1
[M]+ 258.17855 158.5
[M]- 258.17965 158.5
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