CID 11845751

905710-77-2

Structural Information

Molecular Formula
C8H9BO3
SMILES
B1(C2=C(CO1)C=C(C=C2)CO)O
InChI
InChI=1S/C8H9BO3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3,10-11H,4-5H2
InChIKey
ZBVCPDWREFJZOJ-UHFFFAOYSA-N
Compound name
(1-hydroxy-3H-2,1-benzoxaborol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

141
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07175 129.2
[M+Na]+ 187.05369 138.1
[M-H]- 163.05719 132.2
[M+NH4]+ 182.09829 150.5
[M+K]+ 203.02763 136.5
[M+H-H2O]+ 147.06173 125.0
[M+HCOO]- 209.06267 149.9
[M+CH3COO]- 223.07832 171.6
[M+Na-2H]- 185.03914 136.2
[M]+ 164.06392 129.3
[M]- 164.06502 129.3
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