CID 3104710

4-(trans-4-propylcyclohexyl)phenylboronic acid

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

182
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18639 158.8
[M+Na]+ 269.16833 162.2
[M-H]- 245.17183 161.7
[M+NH4]+ 264.21293 174.6
[M+K]+ 285.14227 158.4
[M+H-H2O]+ 229.17637 152.0
[M+HCOO]- 291.17731 174.7
[M+CH3COO]- 305.19296 190.6
[M+Na-2H]- 267.15378 159.4
[M]+ 246.17856 153.5
[M]- 246.17966 153.5
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