CID 3770187

6-aminobenzo[c][1,2]oxaborol-1(3h)-ol

Structural Information

Molecular Formula
C7H8BNO2
SMILES
B1(C2=C(CO1)C=CC(=C2)N)O
InChI
InChI=1S/C7H8BNO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,10H,4,9H2
InChIKey
USCKQKQTFCBECF-UHFFFAOYSA-N
Compound name
1-hydroxy-3H-2,1-benzoxaborol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

302
Patents

149.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.072076 125.4
[M+Na]+ 172.054018 134.4
[M-H]- 148.057524 129.4
[M+NH4]+ 167.098623 147.5
[M+K]+ 188.027958 132.9
[M+H-H2O]+ 132.062060 120.8
[M+HCOO]- 194.063001 148.1
[M+CH3COO]- 208.078651 173.3
[M+Na-2H]- 170.039466 132.7
[M]+ 149.06425142 123.8
[M]- 149.06534858 123.8
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