CID 59755199

947165-26-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

149.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07208 125.4
[M+Na]+ 172.05402 134.4
[M-H]- 148.05752 129.4
[M+NH4]+ 167.09862 147.5
[M+K]+ 188.02796 132.9
[M+H-H2O]+ 132.06206 120.8
[M+HCOO]- 194.06300 148.1
[M+CH3COO]- 208.07865 173.3
[M+Na-2H]- 170.03947 132.7
[M]+ 149.06425 123.8
[M]- 149.06535 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

No literature data available for this compound.

Patent stripe

patents stripe