CID 126961420

2066512-89-6

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2C3=CC=CC=C3OC
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)13-10-12(13)11-8-6-7-9-14(11)18-5/h6-9,12-13H,10H2,1-5H3/t12-,13+/m0/s1
InChIKey
QBMZKUDVGWBYES-QWHCGFSZSA-N
Compound name
2-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-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 162.4
[M+Na]+ 297.16322 177.0
[M+NH4]+ 292.20782 174.3
[M+K]+ 313.13716 170.7
[M-H]- 273.16672 177.0
[M+Na-2H]- 295.14867 173.5
[M]+ 274.17345 170.4
[M]- 274.17455 170.4
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.