CID 59882226

2-(4-(methoxymethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.165646 151.7
[M+Na]+ 271.147588 160.7
[M-H]- 247.151094 160.4
[M+NH4]+ 266.192193 172.8
[M+K]+ 287.121528 161.4
[M+H-H2O]+ 231.155630 147.3
[M+HCOO]- 293.156571 172.7
[M+CH3COO]- 307.172221 194.0
[M+Na-2H]- 269.133036 157.7
[M]+ 248.15782142 156.6
[M]- 248.15891858 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