CID 43145346

[2-(cyclopentyloxy)-5-methylphenyl]boronic acid

Structural Information

Molecular Formula
C12H17BO3
SMILES
B(C1=C(C=CC(=C1)C)OC2CCCC2)(O)O
InChI
InChI=1S/C12H17BO3/c1-9-6-7-12(11(8-9)13(14)15)16-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
InChIKey
GGLMKUJEQSKWOG-UHFFFAOYSA-N
Compound name
(2-cyclopentyloxy-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13436 148.7
[M+Na]+ 243.11630 154.3
[M-H]- 219.11980 152.6
[M+NH4]+ 238.16090 167.5
[M+K]+ 259.09024 151.6
[M+H-H2O]+ 203.12434 142.9
[M+HCOO]- 265.12528 168.1
[M+CH3COO]- 279.14093 183.1
[M+Na-2H]- 241.10175 149.6
[M]+ 220.12653 146.1
[M]- 220.12763 146.1
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