CID 54021184

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.076836 125.6
[M+Na]+ 171.058778 135.1
[M-H]- 147.062284 130.1
[M+NH4]+ 166.103383 148.4
[M+K]+ 187.032718 133.9
[M+H-H2O]+ 131.066820 121.4
[M+HCOO]- 193.067761 147.6
[M+CH3COO]- 207.083411 172.0
[M+Na-2H]- 169.044226 133.0
[M]+ 148.06901142 126.1
[M]- 148.07010858 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