CID 71306493

4-(cyclohexyl)aminomethyl phenyl boronic acid pinacol ester

Structural Information

Molecular Formula
C19H30BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNC3CCCCC3
InChI
InChI=1S/C19H30BNO2/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)14-21-17-8-6-5-7-9-17/h10-13,17,21H,5-9,14H2,1-4H3
InChIKey
QAJAUSMIWXSUEL-UHFFFAOYSA-N
Compound name
N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23697 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.244246 175.7
[M+Na]+ 338.226188 180.1
[M-H]- 314.229694 185.7
[M+NH4]+ 333.270793 192.9
[M+K]+ 354.200128 178.9
[M+H-H2O]+ 298.234230 168.7
[M+HCOO]- 360.235171 192.7
[M+CH3COO]- 374.250821 208.7
[M+Na-2H]- 336.211636 177.8
[M]+ 315.23642142 173.2
[M]- 315.23751858 173.2
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

No patent data available for this compound.