CID 91070773

4,4,5,5-tetramethyl-2-[3-methyl-4-(propan-2-yl)phenyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(C)C)C
InChI
InChI=1S/C16H25BO2/c1-11(2)14-9-8-13(10-12(14)3)17-18-15(4,5)16(6,7)19-17/h8-11H,1-7H3
InChIKey
MSJXDMCPAULZLY-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-methyl-4-propan-2-ylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20204 156.2
[M+Na]+ 283.18398 165.2
[M-H]- 259.18748 165.1
[M+NH4]+ 278.22858 177.2
[M+K]+ 299.15792 165.3
[M+H-H2O]+ 243.19202 152.2
[M+HCOO]- 305.19296 175.3
[M+CH3COO]- 319.20861 200.0
[M+Na-2H]- 281.16943 159.4
[M]+ 260.19421 160.2
[M]- 260.19531 160.2
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