CID 59535348

1220219-36-2

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)CO
InChI
InChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-7-5-12(6-8-13)16(11-18)9-10-16/h5-8,18H,9-11H2,1-4H3
InChIKey
WLKBNPVGNWGUSP-UHFFFAOYSA-N
Compound name
[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.181276 154.8
[M+Na]+ 297.163218 164.9
[M-H]- 273.166724 166.0
[M+NH4]+ 292.207823 171.1
[M+K]+ 313.137158 166.1
[M+H-H2O]+ 257.171260 151.4
[M+HCOO]- 319.172201 172.6
[M+CH3COO]- 333.187851 198.5
[M+Na-2H]- 295.148666 161.1
[M]+ 274.17345142 160.9
[M]- 274.17454858 160.9
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

patents stripe