CID 3104710

146862-02-4

Structural Information

Molecular Formula
C15H23BO2
SMILES
B(C1=CC=C(C=C1)C2CCC(CC2)CCC)(O)O
InChI
InChI=1S/C15H23BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13,17-18H,2-7H2,1H3
InChIKey
QTBUVZSHCNAPRT-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18639 159.5
[M+Na]+ 269.16833 170.8
[M+NH4]+ 264.21293 167.8
[M+K]+ 285.14227 164.0
[M-H]- 245.17183 162.9
[M+Na-2H]- 267.15378 165.2
[M]+ 246.17856 162.0
[M]- 246.17966 162.0
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

patents stripe