CID 22289818

570398-88-8

Structural Information

Molecular Formula
C12H17BO3
SMILES
B(C1=CC=C(C=C1)OC2CCCCC2)(O)O
InChI
InChI=1S/C12H17BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11,14-15H,1-5H2
InChIKey
LRWBGLILWSKAMP-UHFFFAOYSA-N
Compound name
(4-cyclohexyloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

220.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13436 149.5
[M+Na]+ 243.11630 160.5
[M+NH4]+ 238.16090 157.7
[M+K]+ 259.09024 154.8
[M-H]- 219.11980 152.4
[M+Na-2H]- 241.10175 155.8
[M]+ 220.12653 151.7
[M]- 220.12763 151.7
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