CID 4197993

159613-21-5

Structural Information

Molecular Formula
C12H17BO4
SMILES
B(C1=CC(=C(C=C1)OC)OC2CCCC2)(O)O
InChI
InChI=1S/C12H17BO4/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
InChIKey
PTXMXVNPZGJCAA-UHFFFAOYSA-N
Compound name
(3-cyclopentyloxy-4-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

236.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12928 152.6
[M+Na]+ 259.11122 162.3
[M+NH4]+ 254.15582 159.9
[M+K]+ 275.08516 159.5
[M-H]- 235.11472 154.2
[M+Na-2H]- 257.09667 157.1
[M]+ 236.12145 154.1
[M]- 236.12255 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe