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

130
Patents

220.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13436 148.4
[M+Na]+ 243.11630 152.1
[M-H]- 219.11980 151.5
[M+NH4]+ 238.16090 164.8
[M+K]+ 259.09024 149.5
[M+H-H2O]+ 203.12434 141.7
[M+HCOO]- 265.12528 165.5
[M+CH3COO]- 279.14093 182.5
[M+Na-2H]- 241.10175 151.4
[M]+ 220.12653 143.2
[M]- 220.12763 143.2
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

patents stripe