CID 167311826

2-(2-methoxy-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2OC)C
InChI
InChI=1S/C14H21BO3/c1-10-8-7-9-11(16-6)12(10)15-17-13(2,3)14(4,5)18-15/h7-9H,1-6H3
InChIKey
KIFXMLBSRVXOGB-UHFFFAOYSA-N
Compound name
2-(2-methoxy-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.165646 150.2
[M+Na]+ 271.147588 160.3
[M-H]- 247.151094 159.4
[M+NH4]+ 266.192193 171.7
[M+K]+ 287.121528 160.9
[M+H-H2O]+ 231.155630 146.3
[M+HCOO]- 293.156571 171.3
[M+CH3COO]- 307.172221 195.2
[M+Na-2H]- 269.133036 155.8
[M]+ 248.15782142 155.7
[M]- 248.15891858 155.7
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