CID 11845749

905710-76-1

Structural Information

Molecular Formula
C8H9BO2
SMILES
B1(C2=C(CO1)C=C(C=C2)C)O
InChI
InChI=1S/C8H9BO2/c1-6-2-3-8-7(4-6)5-11-9(8)10/h2-4,10H,5H2,1H3
InChIKey
DPQXHKISEXZJPD-UHFFFAOYSA-N
Compound name
1-hydroxy-5-methyl-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

114
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 126.3
[M+Na]+ 171.05878 139.1
[M+NH4]+ 166.10338 136.0
[M+K]+ 187.03272 135.1
[M-H]- 147.06228 129.7
[M+Na-2H]- 169.04423 131.5
[M]+ 148.06901 129.1
[M]- 148.07011 129.1
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