CID 155821382

2-[2-methoxy-6-(prop-1-yn-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2OC)C#CC
InChI
InChI=1S/C16H21BO3/c1-7-9-12-10-8-11-13(18-6)14(12)17-19-15(2,3)16(4,5)20-17/h8,10-11H,1-6H3
InChIKey
ABICQICBVSXEMT-UHFFFAOYSA-N
Compound name
2-(2-methoxy-6-prop-1-ynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.16568 154.3
[M+Na]+ 295.14762 167.1
[M-H]- 271.15112 160.9
[M+NH4]+ 290.19222 172.7
[M+K]+ 311.12156 163.1
[M+H-H2O]+ 255.15566 143.8
[M+HCOO]- 317.15660 169.6
[M+CH3COO]- 331.17225 205.1
[M+Na-2H]- 293.13307 158.3
[M]+ 272.15785 154.0
[M]- 272.15895 154.0
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

No patent data available for this compound.