CID 3698726

4-isopropoxyphenylboronic acid

Structural Information

Molecular Formula
C9H13BO3
SMILES
B(C1=CC=C(C=C1)OC(C)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
InChIKey
CJUHQADBFQRIMC-UHFFFAOYSA-N
Compound name
(4-propan-2-yloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1063
Patents

180.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10306 137.8
[M+Na]+ 203.08500 148.8
[M+NH4]+ 198.12960 145.2
[M+K]+ 219.05894 144.5
[M-H]- 179.08850 138.2
[M+Na-2H]- 201.07045 142.8
[M]+ 180.09523 139.3
[M]- 180.09633 139.3
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