CID 21886184

7-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol

Structural Information

Molecular Formula
C8H9BO2
SMILES
B1(C2=C(C=CC=C2CO1)C)O
InChI
InChI=1S/C8H9BO2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-4,10H,5H2,1H3
InChIKey
BKTIWUOBYOQTHE-UHFFFAOYSA-N
Compound name
1-hydroxy-7-methyl-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 125.6
[M+Na]+ 171.05878 135.1
[M-H]- 147.06228 130.1
[M+NH4]+ 166.10338 148.4
[M+K]+ 187.03272 133.9
[M+H-H2O]+ 131.06682 121.4
[M+HCOO]- 193.06776 147.6
[M+CH3COO]- 207.08341 172.0
[M+Na-2H]- 169.04423 133.0
[M]+ 148.06901 126.1
[M]- 148.07011 126.1
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