CID 4197993

3-(cyclopentyloxy)-4-methoxybenzeneboronic acid

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

73
Patents

236.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12928 151.4
[M+Na]+ 259.11122 156.8
[M-H]- 235.11472 155.3
[M+NH4]+ 254.15582 169.4
[M+K]+ 275.08516 154.8
[M+H-H2O]+ 219.11926 145.3
[M+HCOO]- 281.12020 171.0
[M+CH3COO]- 295.13585 185.3
[M+Na-2H]- 257.09667 152.4
[M]+ 236.12145 150.2
[M]- 236.12255 150.2
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