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

34
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18128 154.8
[M+Na]+ 297.16322 164.9
[M-H]- 273.16672 166.0
[M+NH4]+ 292.20782 171.1
[M+K]+ 313.13716 166.1
[M+H-H2O]+ 257.17126 151.4
[M+HCOO]- 319.17220 172.6
[M+CH3COO]- 333.18785 198.5
[M+Na-2H]- 295.14867 161.1
[M]+ 274.17345 160.9
[M]- 274.17455 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