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]+ 273.165676 154.3
[M+Na]+ 295.147618 167.1
[M-H]- 271.151124 160.9
[M+NH4]+ 290.192223 172.7
[M+K]+ 311.121558 163.1
[M+H-H2O]+ 255.155660 143.8
[M+HCOO]- 317.156601 169.6
[M+CH3COO]- 331.172251 205.1
[M+Na-2H]- 293.133066 158.3
[M]+ 272.15785142 154.0
[M]- 272.15894858 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.