CID 44119350

19206-51-0

Structural Information

Molecular Formula
C8H9BO2
SMILES
B1(C2=CC=CC=C2CCO1)O
InChI
InChI=1S/C8H9BO2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4,10H,5-6H2
InChIKey
CKEWCFGVNDVQSC-UHFFFAOYSA-N
Compound name
1-hydroxy-3,4-dihydro-2,1-benzoxaborinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 125.1
[M+Na]+ 171.05878 132.6
[M-H]- 147.06228 128.9
[M+NH4]+ 166.10338 145.6
[M+K]+ 187.03272 131.6
[M+H-H2O]+ 131.06682 119.9
[M+HCOO]- 193.06776 145.0
[M+CH3COO]- 207.08341 171.3
[M+Na-2H]- 169.04423 134.8
[M]+ 148.06901 123.0
[M]- 148.07011 123.0
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