CID 44228974

3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol

Structural Information

Molecular Formula
C9H11BO2
SMILES
B1(C2=CC=CC=C2C(O1)(C)C)O
InChI
InChI=1S/C9H11BO2/c1-9(2)7-5-3-4-6-8(7)10(11)12-9/h3-6,11H,1-2H3
InChIKey
XPHBVPSNNPMQPE-UHFFFAOYSA-N
Compound name
1-hydroxy-3,3-dimethyl-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

106
Patents

162.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09248 129.8
[M+Na]+ 185.07442 139.8
[M-H]- 161.07792 134.5
[M+NH4]+ 180.11902 154.1
[M+K]+ 201.04836 138.5
[M+H-H2O]+ 145.08246 126.0
[M+HCOO]- 207.08340 151.5
[M+CH3COO]- 221.09905 174.6
[M+Na-2H]- 183.05987 137.8
[M]+ 162.08465 130.9
[M]- 162.08575 130.9
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