CID 71256749

1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanol

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)O
InChI
InChI=1S/C14H21BO3/c1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15/h6-10,16H,1-5H3
InChIKey
XYJVUQXMTOMREX-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.165646 153.1
[M+Na]+ 271.147588 161.5
[M-H]- 247.151094 160.5
[M+NH4]+ 266.192193 173.4
[M+K]+ 287.121528 161.7
[M+H-H2O]+ 231.155630 149.2
[M+HCOO]- 293.156571 171.5
[M+CH3COO]- 307.172221 192.4
[M+Na-2H]- 269.133036 157.4
[M]+ 248.15782142 155.6
[M]- 248.15891858 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe