CID 11413960

797762-23-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe