CID 66521573

2-(3-cyclopropyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)C3CC3
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)12-8-9-14(18-5)13(10-12)11-6-7-11/h8-11H,6-7H2,1-5H3
InChIKey
XLWYETBQCPUKKY-UHFFFAOYSA-N
Compound name
2-(3-cyclopropyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18128 156.4
[M+Na]+ 297.16322 167.0
[M-H]- 273.16672 168.9
[M+NH4]+ 292.20782 171.7
[M+K]+ 313.13716 168.0
[M+H-H2O]+ 257.17126 152.0
[M+HCOO]- 319.17220 175.9
[M+CH3COO]- 333.18785 202.2
[M+Na-2H]- 295.14867 161.1
[M]+ 274.17345 163.9
[M]- 274.17455 163.9
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.