CID 3691230

(3-propoxyphenyl)boronic acid

Structural Information

Molecular Formula
C9H13BO3
SMILES
B(C1=CC(=CC=C1)OCCC)(O)O
InChI
InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3
InChIKey
SRSWMXFANVKOFH-UHFFFAOYSA-N
Compound name
(3-propoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

180.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10306 137.3
[M+Na]+ 203.08500 144.0
[M-H]- 179.08850 138.3
[M+NH4]+ 198.12960 156.1
[M+K]+ 219.05894 142.3
[M+H-H2O]+ 163.09304 131.9
[M+HCOO]- 225.09398 158.3
[M+CH3COO]- 239.10963 176.6
[M+Na-2H]- 201.07045 142.2
[M]+ 180.09523 137.8
[M]- 180.09633 137.8
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