CID 12012759

2-(4-methoxybenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)10-11-6-8-12(16-5)9-7-11/h6-9H,10H2,1-5H3
InChIKey
HPNLRRQVSZVKHY-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16565 151.7
[M+Na]+ 271.14759 160.7
[M-H]- 247.15109 160.4
[M+NH4]+ 266.19219 172.8
[M+K]+ 287.12153 161.4
[M+H-H2O]+ 231.15563 147.3
[M+HCOO]- 293.15657 172.7
[M+CH3COO]- 307.17222 194.0
[M+Na-2H]- 269.13304 157.7
[M]+ 248.15782 156.6
[M]- 248.15892 156.6
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