CID 71306552

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

Structural Information

Molecular Formula
C16H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)COCCOC
InChI
InChI=1S/C16H25BO4/c1-15(2)16(3,4)21-17(20-15)14-8-6-13(7-9-14)12-19-11-10-18-5/h6-9H,10-12H2,1-5H3
InChIKey
LUXOGZXYNLIHRM-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

292.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19188 164.1
[M+Na]+ 315.17382 172.1
[M-H]- 291.17732 172.3
[M+NH4]+ 310.21842 183.3
[M+K]+ 331.14776 172.8
[M+H-H2O]+ 275.18186 159.1
[M+HCOO]- 337.18280 184.5
[M+CH3COO]- 351.19845 202.0
[M+Na-2H]- 313.15927 169.1
[M]+ 292.18405 171.2
[M]- 292.18515 171.2
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