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

163
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.186386 158.8
[M+Na]+ 269.168328 162.2
[M-H]- 245.171834 161.7
[M+NH4]+ 264.212933 174.6
[M+K]+ 285.142268 158.4
[M+H-H2O]+ 229.176370 152.0
[M+HCOO]- 291.177311 174.7
[M+CH3COO]- 305.192961 190.6
[M+Na-2H]- 267.153776 159.4
[M]+ 246.17856142 153.5
[M]- 246.17965858 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