CID 4219796

2-propoxybenzeneboronic acid

Structural Information

Molecular Formula
C9H13BO3
SMILES
B(C1=CC=CC=C1OCCC)(O)O
InChI
InChI=1S/C9H13BO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6,11-12H,2,7H2,1H3
InChIKey
ZDPMWYOVDLDQDT-UHFFFAOYSA-N
Compound name
(2-propoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

180.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.103056 137.3
[M+Na]+ 203.084998 144.0
[M-H]- 179.088504 138.3
[M+NH4]+ 198.129603 156.1
[M+K]+ 219.058938 142.3
[M+H-H2O]+ 163.093040 131.9
[M+HCOO]- 225.093981 158.3
[M+CH3COO]- 239.109631 176.6
[M+Na-2H]- 201.070446 142.2
[M]+ 180.09523142 137.8
[M]- 180.09632858 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