CID 56973065

1393822-96-2

Structural Information

Molecular Formula
C5H7BNO3
SMILES
[B-](C1=CC=CC=N1)(O)(O)O
InChI
InChI=1S/C5H7BNO3/c8-6(9,10)5-3-1-2-4-7-5/h1-4,8-10H/q-1
InChIKey
XQHXMCXSYNMSHT-UHFFFAOYSA-N
Compound name
trihydroxy(pyridin-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

140.0519 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.059176 123.0
[M+Na]+ 163.041118 130.2
[M-H]- 139.044624 119.9
[M+NH4]+ 158.085723 140.5
[M+K]+ 179.015058 128.1
[M+H-H2O]+ 123.049160 120.3
[M+HCOO]- 185.050101 141.3
[M+CH3COO]- 199.065751 159.5
[M+Na-2H]- 161.026566 131.5
[M]+ 140.05135142 117.9
[M]- 140.05244858 117.9
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

No patent data available for this compound.