CID 21886388

507462-90-0

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2C)O)C
InChI
InChI=1S/C14H21BO3/c1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChIKey
ZCBINMYCBLXSBG-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16565 152.3
[M+Na]+ 271.14759 165.1
[M+NH4]+ 266.19219 163.1
[M+K]+ 287.12153 158.4
[M-H]- 247.15109 158.0
[M+Na-2H]- 269.13304 159.6
[M]+ 248.15782 156.2
[M]- 248.15892 156.2
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